Tag: 200-300

Synthetic Route of C9H5F5O2On September 8, 2017 ,《XAD-2-A useful alternative to Tenax TA for analysis of biogenic volatiles employing thermal desorption coupled with gas chromatography-mass spectrometry》 was published in Journal of Chromatography A. The article was written by Marcillo, Andrea; Jakimovska, Viktorija; Widdig, Anja; Birkemeyer, Claudia. The article contains the following contents:

Volatile organic compounds (VOCs) are commonly collected from gaseous samples by adsorption to materials such as the porous polymer Tenax TA. Adsorbed compounds are subsequently released from these materials by thermal desorption (TD) and separated then by gas chromatog. (GC) with flame ionization (FID) or mass spectrometry (MS) detection. Tenax TA is known to be particularly suitable for nonpolar to semipolar volatiles, however, many volatiles from environmental and biol. samples possess a rather polar character. Therefore, the authors tested if the polymer XAD-2, which so far is widely used to adsorb organic compounds from aqueous and organic solvents, could provide a broader coverage for (semi)polar VOCs during gas-phase sampling. Mixtures of volatile compounds covering a wide range of volatility (b.p. 20-256°) and different chem. classes were introduced by liquid spiking into sorbent tubes with one of the two porous polymers, Tenax TA or XAD-2, and analyzed by TD/GC-MS. At 1st, an internal standard mixture composed of 17 authentic standards was used to optimize desorption temperature with respect to sorbent degradation and loading time for calibration. Secondly, the authors tested the detectability of a complex standard mixture composed of 57 volatiles, most of them common constituents of the body odor of mammals. Also, the performance of XAD-2 compared with Tenax TA was assessed as limit of quantitation and linearity for the internal standard mixture and 33 compounds from the complex standard mixture Volatiles were analyzed in a range between 0.01-∼250 ng/tube depending on the compound and material. Lower limits of quantitation were 0.01-3 ng ± <25% relative standard deviation (R2 > 0.9). The authors found different kinetics for compound adsorption with XAD-2, and a partially better sensitivity in comparison with Tenax TA. For these analytes, XAD-2 might be recommended as an alternative of Tenax TA for TD/GC-MS anal. The experimental process involved the reaction of Ethyl 2,3,4,5,6-pentafluorobenzoate(cas: 4522-93-4Synthetic Route of C9H5F5O2)

Ethyl 2,3,4,5,6-pentafluorobenzoate(cas: 4522-93-4) belongs to esters. They are important in biology, being one of the main classes of lipids and comprising the bulk of animal fats and vegetable oils.Synthetic Route of C9H5F5O2 They perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

《Discovery of a Napabucasin PROTAC as an Effective Degrader of the E3 Ligase ZFP91》 was written by Hanafi, Maha; Chen, Xinde; Neamati, Nouri. Formula: C10H22N2O2This research focused ontumorigenesis oncogenic pathways PROTACs STAT3 E3 ligase cytotoxicity degrader. The article conveys some information:

Napabucasin, undergoing multiple clin. trials, was reported to inhibit the signal transducer and transcription factor 3 (STAT3). To better elucidate its mechanism of action, we designed a napabucasin-based proteolysis targeting chimera (PROTAC), XD2-149(I) that resulted in inhibition of STAT3 signaling in pancreatic cancer cell lines without inducing proteasome-dependent degradation of STAT3. Proteomics anal. of XD2-149 revealed the downregulation of the E3 ubiquitin-protein ligase ZFP91. XD2-149 degrades ZFP91 with DC50 values in the nanomolar range. The cytotoxicity of XD2-149 was significantly, but not fully, reduced with ZFP91 knockdown providing evidence for its multi-targeted mechanism of action. The NQO1 inhibitor, dicoumarol, rescued the cytotoxicity of XD2-149 but not ZFP91 degradation, suggesting that the NQO1-induced cell death is independent of ZFP91. ZFP91 plays a role in tumorigenesis and is involved in multiple oncogenic pathways including NF-κB and HIF-1α. In addition to this study using tert-Butyl (5-aminopentyl)carbamate, there are many other studies that have used tert-Butyl (5-aminopentyl)carbamate(cas: 51644-96-3Formula: C10H22N2O2) was used in this study.

Some of the reported applications of tert-Butyl (5-aminopentyl)carbamate(cas: 51644-96-3) include: synthesis of of a supermacrocycle that self-assemble to form organic nanotubes., preparation of water-soluble unsymmetrical sulforhodamine fluorophores from monobrominated sulfoxanthene dye, synthesis of functionalized porphyrins as biocompatible carrier system for photodynamic therapy (PDT).Formula: C10H22N2O2

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

《challenges of fast sampling of volatiles for thermal desorption gas chromatog. – mass spectrometry》 was written by Marcillo, Andrea; Weiss, Brigitte M.; Widdig, Anja; Birkemeyer, Claudia. Category: esters-buliding-blocks And the article was included in Journal of Chromatography A on April 26 ,2020. The article conveys some information:

Fast active sampling of volatile organic compounds (VOCs) under field conditions still is a great challenge especially when the exposure time to the source of emissions is a restricting factor. Hence, to identify ideal conditions for such applications, we systematically compared fast active sampling of VOCs collected on two common adsorbents under two regimes: first, very low gas volumes (from 300 mL) sampled at nominal flow rate and, second, sampling at the maximal applicable flow rate (0.5 L/min) before loss of sorbent material was experienced. For XAD-2 and Tenax TA, efficient sorbents for on-site VOC-sampling followed by thermal desorption GC-MS, significant differences in the signal response of volatile compounds were related not only to the varied exptl. factors alone, but also to their interactions and to compound volatility. In the first regime, volatiles (∼0.004-3.13 mM) from Tenax TA gave the highest signal response only above 800 mL sampled gas volume while at low concentrations (∼0.004-0.12 mM), satisfactory recovery from XAD-2 required longer analyte-sorbent interaction. For the second regime, the relative recovery was severely impaired down to 73 ± 23%, n = 56 for Tenax TA and 72 ± 17%, n = 56 for XAD-2 at intermediate concentration, and 79 ± 11%, n = 84 for Tenax TA at high concentration compared to the relative recovery at standard flow rate. Neither Tenax TA nor XAD-2 provided a 100% total recovery (calculated using breakthrough values) for any of the evaluated compounds Finally, two-way and three-way interactions identified in a multi-variable model, explained not only the dependence of the signal response on different exptl. variables, but also their complex interplay affecting the recovery of the VOCs. In conclusion, we show for the first time that XAD-2, a material only recently introduced for the adsorption of volatiles from the gas phase, competes well with the standard material Tenax TA under conditions of fast sampling. Due to the similar absolute recovery with Tenax TA even at low concentration and with regard to the better detection limits, we consider XAD-2 the better choice for fast sampling of VOCs, particularly with low sample volumes at regular flow. For fast sampling with high flow rate, however, both sorbents might be selected only if the corresponding recovery loss can be accepted for the study. In the experiment, the researchers used many compounds, for example, Ethyl 2,3,4,5,6-pentafluorobenzoate(cas: 4522-93-4Category: esters-buliding-blocks)

Ethyl 2,3,4,5,6-pentafluorobenzoate(cas: 4522-93-4) belongs to esters. They are important in biology, being one of the main classes of lipids and comprising the bulk of animal fats and vegetable oils.Category: esters-buliding-blocks Polyesters are important plastics, with monomers linked by ester moieties.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

《Catalytic C-F Bond Activation of Perfluoroarenes by Tricoordinated Gold(I) Complexes》 was published in Advanced Synthesis & Catalysis in 2012. These research results belong to Zhan, Jin-Hui; Lv, Hongbin; Yu, Yi; Zhang, Jun-Long. Reference of Ethyl 2,3,4,5,6-pentafluorobenzoate The article mentions the following:

The authors report the first example of gold catalyzing C-F bond activation for perfluoroarenes in the presence of silanes. Tricoordinated gold(I) complexes supported by Xantphos-type ligands, such as Xantphos and tBuXantphos ligands, exhibit efficacy in the hydrodefluorination (HDF) of various types of perfluoroarenes. For [tBuXantphosAu(AuCl2)], the highest turnover number is up to 1000 in the HDF of pentafluoronitrobenzene with diphenylsilane. An examination of functional group tolerance shows the orthogonality of this gold(I) catalytic protocol to ketone, ester, carboxylate, alkynyl, alkenyl and amide groups, suggesting its potential application in chemoselective C-F activations. Mechanistic studies show that the equilibrium between tetracoordinated [L2Au]+ and [LAu]+ is important for the reactivity of gold catalysts, which is dependent on the sterically bulky group of Xantphos-type ligands. Also, computational studies for the possible reaction pathways suggest that direct oxidative addition of C-F bonds by gold(I) cation might be the key step during these catalytic reactions. In the experiment, the researchers used many compounds, for example, Ethyl 2,3,4,5,6-pentafluorobenzoate(cas: 4522-93-4Reference of Ethyl 2,3,4,5,6-pentafluorobenzoate)

Ethyl 2,3,4,5,6-pentafluorobenzoate(cas: 4522-93-4) belongs to esters. They are important in biology, being one of the main classes of lipids and comprising the bulk of animal fats and vegetable oils.Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones.Reference of Ethyl 2,3,4,5,6-pentafluorobenzoate

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Category: esters-buliding-blocksIn 2019 ,《Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism》 was published in Journal of Medicinal Chemistry. The article was written by Zhong, Wenhe; Pasunooti, Kalyan Kumar; Balamkundu, Seetharamsing; Wong, Yee Hwa; Nah, Qianhui; Gadi, Vinod; Gnanakalai, Shanmugavel; Chionh, Yok Hian; McBee, Megan E.; Gopal, Pooja; Lim, Siau Hoi; Olivier, Nelson; Buurman, Ed T.; Dick, Thomas; Liu, Chuan Fa; Lescar, Julien; Dedon, Peter C.. The article contains the following contents:

Among the >120 modified ribonucleosides in the prokaryotic epitranscriptome, many tRNA (tRNA) modifications are critical to bacterial survival, which makes their synthetic enzymes ideal targets for antibiotic development. Here we performed a structure-based design of inhibitors of tRNA-(N1G37) methyltransferase, TrmD, which is an essential enzyme in many bacterial pathogens. On the basis of crystal structures of TrmDs from Pseudomonas aeruginosa and Mycobacterium tuberculosis, we synthesized a series of thienopyrimidinone derivatives with nanomolar potency against TrmD in vitro and discovered a novel active site conformational change triggered by inhibitor binding. This tyrosine-flipping mechanism is unique found in P. aeruginosa TrmD and renders the enzyme inaccessible to the cofactor S-adenosyl-L-methionine (SAM) and probably to the substrate tRNA. Biophys. and biochem. structure-activity relationship studies provided insights into the mechanisms underlying the potency of thienopyrimidinones as TrmD inhibitors, with several derivatives found to be active against Gram-pos. and mycobacterial pathogens. These results lay a foundation for further development of TrmD inhibitors as antimicrobial agents. In the experiment, the researchers used tert-Butyl (5-aminopentyl)carbamate(cas: 51644-96-3Category: esters-buliding-blocks)

Some of the reported applications of tert-Butyl (5-aminopentyl)carbamate(cas: 51644-96-3) include: synthesis of of a supermacrocycle that self-assemble to form organic nanotubes., preparation of water-soluble unsymmetrical sulforhodamine fluorophores from monobrominated sulfoxanthene dye, synthesis of functionalized porphyrins as biocompatible carrier system for photodynamic therapy (PDT).Category: esters-buliding-blocks

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Synthetic Route of C10H22N2O2In 2021 ,《Synthesis and structure-activity relationships of 3,4,5-trisubstituted-1,2,4-triazoles: high affinity and selective somatostatin receptor-4 agonists for Alzheimer′s disease treatment》 was published in RSC Medicinal Chemistry. The article was written by Neumann, William L.; Sandoval, Karin E.; Mobayen, Shirin; Minaeian, Mahsa; Kukielski, Stephen G.; Srabony, Khush N.; Frare, Rafael; Slater, Olivia; Farr, Susan A.; Niehoff, Michael L.; Hospital, Audrey; Kontoyianni, Maria; Crider, A. Michael; Witt, Ken A.. The article contains the following contents:

Somatostatin receptor-4 (SST4) is highly expressed in brain regions affiliated with learning and memory. SST4 agonist treatment may act to mitigate Alzheimer′s disease (AD) pathol. An integrated approach to SST4 agonist lead optimization is presented herein. High affinity and selective agonists with biol. efficacy were identified through iterative cycles of a structure-based design strategy encompassing computational methods, chem., and preclin. pharmacol. 1,2,4-Triazole derivatives of our previously reported hit (4) showed enhanced SST4 binding affinity, activity, and selectivity. Thirty-five compounds showed low nanomolar range SST4 binding affinity, 12 having a Ki < 1 nM. These compounds showed >500-fold affinity for SST4 as compared to SST2A. SST4 activities were consistent with the resp. SST4 binding affinities (EC50 < 10 nM for 34 compounds). Compound 208 (SST4Ki = 0.7 nM; EC50 = 2.5 nM; >600-fold selectivity over SST2A) display a favorable physiochem. profile, and was advanced to learning and memory behavior evaluations in the senescence accelerated mouse-prone 8 model of AD-related cognitive decline. Chronic administration enhanced learning with i.p. dosing (1 mg kg-1) compared to vehicle. Chronic administration enhanced memory with both i.p. (0.01, 0.1, 1 mg kg-1) and oral (0.01, 10 mg kg-1) dosing compared to vehicle. This study identified a novel series of SST4 agonists with high affinity, selectivity, and biol. activity that may be useful in the treatment of AD. The experimental process involved the reaction of tert-Butyl (5-aminopentyl)carbamate(cas: 51644-96-3Synthetic Route of C10H22N2O2)

Some of the reported applications of tert-Butyl (5-aminopentyl)carbamate(cas: 51644-96-3) include: synthesis of of a supermacrocycle that self-assemble to form organic nanotubes., preparation of water-soluble unsymmetrical sulforhodamine fluorophores from monobrominated sulfoxanthene dye, synthesis of functionalized porphyrins as biocompatible carrier system for photodynamic therapy (PDT).Synthetic Route of C10H22N2O2

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Application In Synthesis of N-Boc-1,6-DiaminohexaneIn 2020 ,《Discovery of SK-575 as a Highly Potent and Efficacious Proteolysis-Targeting Chimera Degrader of PARP1 for Treating Cancers》 appeared in Journal of Medicinal Chemistry. The author of the article were Cao, Chaoguo; Yang, Jie; Chen, Yong; Zhou, Peiting; Wang, Yingwei; Du, Wu; Zhao, Lifeng; Chen, Yuanwei. The article conveys some information:

The nuclear protein poly(ADP-ribose) polymerase-1 (PARP1) has a well-established role in the signaling and repair of DNA and is a validated therapeutic target for cancers and other human diseases. Here, we have designed, synthesized, and evaluated a series of small-mol. PARP1 degraders based on the proteolysis-targeting chimera (PROTAC) concept. Our efforts have led to the discovery of highly potent PARP1 degraders, as exemplified by compound 18 (SK-575). SK-575 potently inhibits the growth of cancer cells bearing BRCA1/2 mutations and induces potent and specific degradation of PARP1 in various human cancer cells even at low picomolar concentrations SK-575 achieves durable tumor growth inhibition in mice when used as a single agent or in combination with cytotoxic agents, such as temozolomide and cisplatin. These data demonstrate that SK-575 is a highly potent and efficacious PARP1 degrader. The experimental process involved the reaction of N-Boc-1,6-Diaminohexane(cas: 51857-17-1Application In Synthesis of N-Boc-1,6-Diaminohexane)

N-Boc-1,6-Diaminohexane(cas: 51857-17-1) is a compound useful in organic synthesis used in the preparation of mixed self-assembled monolayers (SAMs) that resist adsorption of proteins using the reaction of amines with a SAM that presents interchain carboxylic anhydride groupsApplication In Synthesis of N-Boc-1,6-Diaminohexane

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

《Discovery of Novel PDEδ Degraders for the Treatment of KRAS Mutant Colorectal Cancer》 was published in Journal of Medicinal Chemistry in 2020. These research results belong to Cheng, Junfei; Li, Yu; Wang, Xu; Dong, Guoqiang; Sheng, Chunquan. Safety of tert-Butyl (5-aminopentyl)carbamate The article mentions the following:

KRAS-PDEδ protein-protein interaction represents an appealing target for cancer therapy. However, fast release of high-affinity inhibitors from PDEδ hampered drug binding affinity and antiproliferative activity. To overcome the limitations, the first proteolysis-targeting chimeric (PROTAC) small mols. targeting PDEδ were designed. By employment of PDEδ inhibitor deltazinone (2) and cereblon ligand pomalidomide (6), a series of potent PROTAC PDEδ degraders were obtained. The most promising compound 17f(I) efficiently induced PDEδ degradation and demonstrated significantly improved antiproliferative potency in KRAS mutant SW480 cells. Compound 17f also achieved significant tumor growth inhibition in the SW480 colorectal cancer xenograft model. This proof-of-concept study provided a new strategy to validate the druggability of KRAS-PDEδ interaction and offered an effective lead compound for the treatment of KRAS mutant cancer. In the part of experimental materials, we found many familiar compounds, such as tert-Butyl (5-aminopentyl)carbamate(cas: 51644-96-3Safety of tert-Butyl (5-aminopentyl)carbamate)

Some of the reported applications of tert-Butyl (5-aminopentyl)carbamate(cas: 51644-96-3) include: synthesis of of a supermacrocycle that self-assemble to form organic nanotubes., preparation of water-soluble unsymmetrical sulforhodamine fluorophores from monobrominated sulfoxanthene dye, synthesis of functionalized porphyrins as biocompatible carrier system for photodynamic therapy (PDT).Safety of tert-Butyl (5-aminopentyl)carbamate

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Zhang, Jingjing; Zhao, Xiao; Yang, Jin-Dong; Cheng, Jin-Pei published an article on January 7 ,2022. The article was titled 《Diazaphospholene-Catalyzed Hydrodefluorination of Polyfluoroarenes with Phenylsilane via Concerted Nucleophilic Aromatic Substitution》, and you may find the article in Journal of Organic Chemistry.Recommanded Product: 4522-93-4 The information in the text is summarized as follows:

The metal-free catalytic C-F bond activation of polyfluoroarenes was achieved with diazaphospholene as the catalyst and phenylsilane as the terminal reductant. D. functional theory calculations suggested a concerted nucleophilic aromatic substitution mechanism. In the experiment, the researchers used Ethyl 2,3,4,5,6-pentafluorobenzoate(cas: 4522-93-4Recommanded Product: 4522-93-4)

Ethyl 2,3,4,5,6-pentafluorobenzoate(cas: 4522-93-4) belongs to esters. They are important in biology, being one of the main classes of lipids and comprising the bulk of animal fats and vegetable oils.Recommanded Product: 4522-93-4 They perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Polyesters are important plastics, with monomers linked by ester moieties.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

The author of 《Polyfluorinated aromatic esters. Preparation and carbonyl stretching frequencies》 were Filler, Robert; White, James F.; Kacmarek, Andrew J.; Solomon, Irvine J.. And the article was published in Canadian Journal of Chemistry in 1966. SDS of cas: 4522-93-4 The author mentioned the following in the article:

RCO2R’ (R, R’ = Ph, C6F5, Et, CF3, or CF3CH2) are prepared and the ir spectra are discussed in terms of inductive and mesomeric effects. The 4 canonical structures I-IV are considered. The experimental process involved the reaction of Ethyl 2,3,4,5,6-pentafluorobenzoate(cas: 4522-93-4SDS of cas: 4522-93-4)

Ethyl 2,3,4,5,6-pentafluorobenzoate(cas: 4522-93-4) belongs to esters. They are important in biology, being one of the main classes of lipids and comprising the bulk of animal fats and vegetable oils.SDS of cas: 4522-93-4 They perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics