Tag: 200-300

Computed Properties of C11H24N2O2In 2020 ,《Protein degradation through covalent inhibitor-based PROTACs》 appeared in Chemical Communications (Cambridge, United Kingdom). The author of the article were Xue, Gang; Chen, Jiahui; Liu, Lihong; Zhou, Danli; Zuo, Yingying; Fu, Tiancheng; Pan, Zhengying. The article conveys some information:

Tremendous advancements in proteolysis targeting chimera (PROTAC) technol. have been made in recent years. However, whether a covalent inhibitor-based PROTAC can be developed remains controversial. Here, we successfully developed chimeric degraders based on covalent inhibitors to degrade BTK and BLK kinases, demonstrating that covalent inhibitor-based PROTACs are viable and useful tools. In the experiment, the researchers used many compounds, for example, N-Boc-1,6-Diaminohexane(cas: 51857-17-1Computed Properties of C11H24N2O2)

N-Boc-1,6-Diaminohexane(cas: 51857-17-1) is used to prepare 1,3-Bis[6-(Boc-amino)hexyl]urea by reacting with carbonyl dichloride in the presence of triethylamine. Further, it is used as a reagent for the introduction of a C6-spacer.Computed Properties of C11H24N2O2

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

《Reduced amino acid Schiff base containing ruthenium(III) complexes: Synthesis, characterization, DNA interaction, and in vitro cytotoxicity》 was published in Journal of Biochemical and Molecular Toxicology in 2020. These research results belong to Zhang, Zhaokuo; Yang, Ziwei; Wu, Yujing; Yuan, Zhen; Du, Jianlong; Li, Lijun. HPLC of Formula: 7524-52-9 The article mentions the following:

A number of reduced amino Schiff base ligands and corresponding ruthenium(III) complexes were designed and prepared based on the fact that amino acids not only possess multiple coordinate atoms but also improve the solubility of drugs in the body. The interaction of the complexes with calf thymus DNA was analyzed with spectroscopic methods of UV-visible absorption spectra, DNA competitive binding with ethidium bromide, CD spectra, and DNA melting experiments, and DNA viscosity measurements, indicating that the complexes bind to DNA primarily in the grooving mode. With respect to the ligands, the cytotoxicity in vitro of the complexes against Hela, A549, and MCF-7 cells was much enhanced, with most of the IC50 values less than 50μM or even comparable with those of cisplatin. After reading the article, we found that the author used H-Trp-OMe.HCl(cas: 7524-52-9HPLC of Formula: 7524-52-9)

H-Trp-OMe.HCl(cas:7524-52-9) is one of amino acid derivatives. Amino acid derivatives represent an important category of skin penetration promoters. These compounds possess hydrophobic chains attached to an amino acid headgroup via a biodegradable ester bond. Due to the amphiphilic nature of these derivatives, it is possible for them to enter into the SC lipid barrier and significantly disorganize skin membrane lipids.HPLC of Formula: 7524-52-9

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

Liu, Yue; Ma, Congcong; Leonen, Calvin J. A.; Chatterjee, Champak; Novakova, Gabriela; Marek, Ales; Turecek, Frantisek published an article in 2021. The article was titled 《Tackling a Curious Case: Generation of Charge-Tagged Guanosine Radicals by Gas-Phase Electron Transfer and Their Characterization by UV-vis Photo-dissociation Action Spectroscopy and Theory》, and you may find the article in Journal of the American Society for Mass Spectrometry.Synthetic Route of C11H24N2O2 The information in the text is summarized as follows:

We report the generation of gas-phase ribo-guanosine radicals that were tagged at ribose with a fixed-charge 6-(trimethylammonium)hexane-1-aminocarbonyl group. The radical generation relied on electron transfer from fluoranthene anion to noncovalent dibenzo-crown-ether dication complexes which formed nucleoside cation radicals upon one-electron reduction and crown-ether ligand loss. Rate constant measurements revealed an inverse isotope effect on the loss of either hydrogen or deuterium with rate constants kH = 0.25-0.26 s-1 and kD = 0.39-0.54 s-1. We used time-dependent d. functional theory calculations, including thermal vibronic effects, to predict the absorption spectra of several radical isomers. The calculated spectra of low-energy N-7-H guanine-radical tautomers closely matched the action spectra. Transition-state-theory calculations of the rate constants for the loss of H-7 and guanine agreed with the exptl. rate constants for a narrow range of ion effective temperatures Our calculations suggest that the observed inverse isotope effect does not arise from the isotope-dependent differences in the transition-state energies. Instead, it may be caused by the dynamics of post-transition-state complexes preceding the product separation In the experimental materials used by the author, we found N-Boc-1,6-Diaminohexane(cas: 51857-17-1Synthetic Route of C11H24N2O2)

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 groupsSynthetic Route of C11H24N2O2

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

《Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain》 was published in Angewandte Chemie, International Edition in 2020. These research results belong to Stanfield, Joshua Kyle; Omura, Keita; Matsumoto, Ayaka; Kasai, Chie; Sugimoto, Hiroshi; Shiro, Yoshitsugu; Watanabe, Yoshihito; Shoji, Osami. HPLC of Formula: 7524-52-9 The article mentions the following:

Despite CYP102A1 (P450BM3) representing one of the most extensively researched metalloenzymes, crystallization of its heme domain upon modification can be a challenge. Crystal structures are indispensable for the efficient structure-based design of P450BM3 as a biocatalyst. The abietane diterpenoid derivative N-abietoyl-L-tryptophan (AbiATrp) is an outstanding crystallization accelerator for the wild-type P450BM3 heme domain, with visible crystals forming within 2 h and diffracting to a near-at. resolution of 1.22 Å. Using these crystals as seeds in a cross-microseeding approach, an assortment of P450BM3 heme domain crystal structures, containing previously uncrystallisable decoy mols. and diverse artificial metalloporphyrins binding various ligand mols., as well as heavily tagged heme-domain variants, could be determined Some of the structures reported herein could be used as models of different stages of the P450BM3 catalytic cycle. The results came from multiple reactions, including the reaction of H-Trp-OMe.HCl(cas: 7524-52-9HPLC of Formula: 7524-52-9)

H-Trp-OMe.HCl(cas:7524-52-9) is one of amino acid derivatives. Amino acid derivatives represent an important category of skin penetration promoters. These compounds possess hydrophobic chains attached to an amino acid headgroup via a biodegradable ester bond. Due to the amphiphilic nature of these derivatives, it is possible for them to enter into the SC lipid barrier and significantly disorganize skin membrane lipids.HPLC of Formula: 7524-52-9

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

The author of 《In situ fabrication of multifunctional gold-amino acid superstructures based on self-assembly》 were Yang, Xuejiao; Yang, Bohao; Wang, Yuefei; Qi, Wei; Xing, Qiguo; Zhang, Lei; Liu, Xinyu; Hu, Qing; Su, Rongxin; He, Zhimin. And the article was published in Chemical Communications (Cambridge, United Kingdom) in 2019. Application of 7524-52-9 The author mentioned the following in the article:

A facial strategy to construct multifunctional gold-amino acid superstructures is reported. The ferrocene-tryptophan conjugate could self-assemble into three-dimensional microflowers. What’s more, gold nanoparticles could be biomineralized on the surface of the microflowers, achieving gold-amino acid superstructures. The formed superstructures exhibited significant photothermal effects and catalytic activity.H-Trp-OMe.HCl(cas: 7524-52-9Application of 7524-52-9) was used in this study.

H-Trp-OMe.HCl(cas:7524-52-9) is one of amino acid derivatives. Amino acid derivatives represent an important category of skin penetration promoters. These compounds possess hydrophobic chains attached to an amino acid headgroup via a biodegradable ester bond. Due to the amphiphilic nature of these derivatives, it is possible for them to enter into the SC lipid barrier and significantly disorganize skin membrane lipids.Application of 7524-52-9

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

COA of Formula: C12H15ClN2O2In 2021 ,《A fast and direct iodide-catalyzed oxidative 2-selenylation of tryptophan》 was published in Chemical Communications (Cambridge, United Kingdom). The article was written by Gao, Yu-Ting; Liu, Shao-Dong; Cheng, Liang; Liu, Li. The article contains the following contents:

A metal-free 2-selenylation of tryptophan derivatives is reported, where the use of iodide as the catalyst and oxone as the oxidant is key to obtain high yields. Various functional groups within the di-selenyl and the indole ring are tolerated, and no racemization is generally observed In the experiment, the researchers used many compounds, for example, H-Trp-OMe.HCl(cas: 7524-52-9COA of Formula: C12H15ClN2O2)

H-Trp-OMe.HCl(cas:7524-52-9) is one of amino acid derivatives. Amino acid derivatives represent an important category of skin penetration promoters. These compounds possess hydrophobic chains attached to an amino acid headgroup via a biodegradable ester bond. Due to the amphiphilic nature of these derivatives, it is possible for them to enter into the SC lipid barrier and significantly disorganize skin membrane lipids.COA of Formula: C12H15ClN2O2

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

Application of 51857-17-1In 2020 ,《A small-molecule probe for monitoring binding to prolyl hydroxylase domain 2 by fluorescence polarization》 appeared in Chemical Communications (Cambridge, United Kingdom). The author of the article were Li, Zhihong; Zhen, Shuai; Su, Kaijun; Tumber, Anthony; Yu, Quanwei; Dong, Ying; McDonough, Michael; Schofield, Christopher J.; Zhang, Xiaojin. The article conveys some information:

Inhibition of the dioxygen sensing hypoxia-inducible factor prolyl hydroxylases has potential therapeutic benefit for treatment of diseases, including anemia. We describe the discovery of a small-mol. probe useful for monitoring binding to human prolyl hydroxylase domain 2 (PHD2) via fluorescence polarization. The assay is suitable for high-throughput screening of PHD inhibitors with both weak and strong affinities, as shown by work with clin. used inhibitors and naturally occurring PHD inhibitors. The experimental part of the paper was very detailed, including the reaction process of N-Boc-1,6-Diaminohexane(cas: 51857-17-1Application of 51857-17-1)

N-Boc-1,6-Diaminohexane(cas: 51857-17-1) is used to prepare 1,3-Bis[6-(Boc-amino)hexyl]urea by reacting with carbonyl dichloride in the presence of triethylamine. Further, it is used as a reagent for the introduction of a C6-spacer.Application of 51857-17-1

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

《Introducing aldehyde functionality to proteins using ligand-directed affinity labeling》 was published in Chemical Communications (Cambridge, United Kingdom) in 2020. These research results belong to Song, Yinan; Xiong, Feng; Peng, Jianzhao; Fung, Yi Man Eva; Huang, Yiran; Li, Xiaoyu. Quality Control of N-Boc-1,6-Diaminohexane The article mentions the following:

Aldehyde is a versatile chem. handle for protein modification. Although many methods have been developed to label proteins with aldehyde, target-specific methods amenable to endogenous proteins are limited. Here, the authors report a simple affinity probe strategy to introduce aldehydes to native proteins. Notably, the probe contains a latent aldehyde functionality that is only exposed upon target binding, thereby enabling a one-pot labeling procedure. In addition to this study using N-Boc-1,6-Diaminohexane, there are many other studies that have used N-Boc-1,6-Diaminohexane(cas: 51857-17-1Quality Control of N-Boc-1,6-Diaminohexane) was used in this study.

N-Boc-1,6-Diaminohexane(cas: 51857-17-1) can be used as a linear hexyl spacer (C6-spacer) to synthesize biodegradable poly(disulfide amine)s for gene delivery, a multifunctional dendrimer for theranostics and so on.Quality Control of N-Boc-1,6-Diaminohexane

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

《Modulation of the catalytic properties of α-chymotrypsin by chemical modification at Tyr 146》 was published in Biochimica et Biophysica Acta, Protein Structure in 1978. These research results belong to Gorecki, Marian; Wilchek, Meir; Blumberg, Shmaryahu. Safety of H-D-Phe(4-NO2)-OMe.HCl The article mentions the following:

α-Chymotrypsin was modified with 3 different diazonium salts derived from D-phenylalanine. All 3 reagents reacted selectivity with tyrosine-146 on the surface of the enzyme. The spectral and enzymic properties of the azochymotrypsins were characteristic for each of the proteins. Depending on the structure of the reagent used for modification, the activity towards p-nitroanilide substrate was higher or about the same as that of the native enzyme. In addition to this study using H-D-Phe(4-NO2)-OMe.HCl, there are many other studies that have used H-D-Phe(4-NO2)-OMe.HCl(cas: 67877-95-6Safety of H-D-Phe(4-NO2)-OMe.HCl) was used in this study.

H-D-Phe(4-NO2)-OMe.HCl(cas: 67877-95-6) belongs to esters. Esters are more polar than ethers but less polar than alcohols. Safety of H-D-Phe(4-NO2)-OMe.HCl They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.

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

《5-Arylpyrimidines. II. 4,6-Disubstituted 5-phenylpyrimidines》 was published in Collection of Czechoslovak Chemical Communications in 1965. These research results belong to Budesinsky, Z.; Roubinek, F.; Svatek, E.. Formula: C11H11NO6 The article mentions the following:

cf. Cesk. Farm. 11, 345(1962). HCO2Et gave with RCH(CONH2)2 (I) compounds of type II, yielding with P2S5 the corresponding 4,6-dimercapto and with POCl3 the resp. 4,6-dichloro derivatives which were converted to products of type III. I were obtained from the corresponding malonic esters by the method of Dox and Yoder ( CA 16, 2846) [R, % yield, and m.p. (H2O) given]: 2-ClC6H4, 72, 171°; 4-ClC6H4, 81, 211°; 4-AcNHC6H4, 59.5, 247-8°. Me p- acetamidophenylmalonate, m. 185-6° (MeOH), was obtained in 36-g. yield by hydrogenation and subsequent acetylation of 105.5 g. Me p-nitrophenylmalonate, m. 95-8° (MeOH), prepared, in turn, by treating 166.4 g. Me phenylmalonate in 500 ml. H2SO4 at 0° portionwise with 88 g. KNO3. Refluxing 2 hrs. 1 mole I with 2 g.-atoms Na in 1500 ml. EtOH and 2 moles HCO2Et, adding more 0.4 mole HCO2Et and refluxing another 2-3 hrs., keeping overnight, dissolving the separated product in 1000 ml. hot H2O, decolorizing with C and making acid with HCl gave II (R2  OH) (R1, % yield, m.p., and solvent given): Bu, 39.2, 282-4°, EtOH; 2-ClC6H4, 53.2, 349°, H2O; 4-ClC6H4, 62.2, >360°, AcOH; 4-AcNHC6H4, 39.3, >360°, HCONH2. II (R1  4-NO2C6H4, R2  OH), m. >360°, was obtained in 88.3% yield by the nitration of II (R1 R2  OH) with KNO3 as above, II (R1  4-NH2C6H4, R2  OH) was prepared by deacetylation of II (R1  4-AcNHC6H4, R2  OH). II (R2  OH) (0.1 mole) yielded, when refluxed 4-7 hrs. with 120 ml. POCl3 and 7 ml. PhNMe2, II (R2  Cl) (R1, % yield, m.p., and solvent given): Bu, 82, b11 128°, -; Ph, 84.2, 112-14°, AcOH; 2-ClC6H4, 71.8, 113-14°, EtOH; 4-ClC6H4, 74.7, 92°, EtOH; 4-NO2C6H4, 91.8, 143-4°, EtOH, was obtained by nitration of II (R1  Ph) as above. II (R1  Ph, 2  Cl) (20 g.) was dissolved in 50 ml. hot EtOH and kept with 30 ml. aqueous NH4OH in a sealed Carius tube 2 hrs. at 100° to yield 17.5 g. 4-amino-5-phenyl-6-chloropyrimidine, m. 195-7° (C6H6). Analogously was obtained 76.6% 4-amino-5-(2-chlorophenyl)-6-chloropyrimidine, m. 173° (MeOH). Refluxing 3 hrs. II (R2  OH) 1 with pyridine 15 and P2S5 6 weight parts gave 4,6-dimercapto derivatives of II which yielded, when kept (0.01 mole) with 0.022 g.-atom Na in 25 ml. MeOH and 0.04 mole ClCH2CO2Me 8-12 hrs., the solution filtered, evaporated in vacuo, the product crystallized from MeOH and refluxed 15 min. with 0.05 mole KOH, the corresponding 4,6-bis(carboxymethylthio)pyrimidines II (R1, R2, % yield, m.p., and solvent given): Ph, SH, 74.1, 238-42°, H2O; 2-ClC6H4, SH, 37, 247-50°, EtOH; 4-ClC6H4, SH, 45.9, 240-8°, H2O; 4-NO2C6H4, SH, 41.4, 193-5°, H2O; Ph, SCH2CO2H, 67.2, 204-6°, H2O; 2-ClC6H4, SCH2CO2H, 37.4, 204°, AcOH; 4-ClC6H4, SCH2CO2H, 76, 214°, H2O; 4-NO2C6H4, SCH2CO2H, 79, 90-2°, MeOH. 4-NH2C6H4, SCH2CO2H, 76.5, >360°, was obtained by hydrogenation of II (4-NO2C6H4, SCH2CO2Me) over Pd-C in MeOH and subsequent saponification of the resulting II (4-NH2C6H4, CH2CO2Me). II (R2  Cl) yielded, when kept (0.02 mole) in EtOH solution of 0.04 mole KHS overnight, III (Z  H), which gave with ClCH2CO2Me upon saponification III (Z  CH2CO2H). The following III were obtained (R, Z, % yield, m.p., and solvent given): Bu, H, -, 176-8°, EtOH; Ph, H, 63.1, 220-5°, EtOH; 2-ClC6H4, H, 61.5, 210-20°, C6H6; 4-ClC6H4, H, 72.5, 230-40°, EtOH; Bu, CH2CO2H, 87, 104-5°, MeOH; Ph, CH2CO2H, 72.5, 161°, EtOH; 2-ClC6H4, CH2CO2H, 62.1, 135°, EtOH; 4-ClC6H4, CH2CO2H, 71, 104-5°, EtOH. II (R1  4-NO2C6H4, R2  Cl) gave with KHS bis[4-mercapto-5-(4-nitrophenyl)-6-pyrimidyl]sulfide, m. 225°. 4-Mercapto-5-phenyl-6-aminopyrimidine, m. 232-5° (EtOH), was obtained by heating 5.0 g. III (R  Ph, Z  H), with 20 ml. aqueous NH4OH and 20 ml. EtOH 16 hrs. at 150°. II (R1  Ph, R2  SCH2CO2Me) (0.5 g.) gave, when heated with 8 ml. aqueous NH4OH 8 hrs. at 100°, 4,6-bis(carbamidomethylthio)-5-phenylpyrimidine, m. 189-91° (H2O); and on refluxing 1 hr. with 0.25 ml. 85% N2H4.H2O in 10 ml. MeOH, quant. yield of 4,6-bis(carbohydrazidomethylthio)-5-phenylpyrimidine, m. 200-2° (H2O). 2-Carboxymethylthio-4,6-dihydroxy-5-phenylpyrimidine (IIIa), obtained in 8.7-g. yield by refluxing 3 hrs. 20 g. 2-thio-5-phenylbarbituric acid (IV), 11 ml. ClCH2CO2Me, and 1.8 g. Na in 50 ml. MeOH and saponifying the resulting ester (9.3 g.), gave crystals, m. 161-3° (H2O). 2,4,6-Trimercapto-6-phenylpyrimidine, obtained in 68.6% yield as above from IV and P2S5 in pyridine, m. 242-4° (H2O). A solution of 4.0 g. 2,4,6-trithio-5-phenylbarbituric acid in 20 ml. MeOH containing 1.11 g. Na afforded, on boiling 30 min. with 6.8 g. ClCH2CO2Me and alk. saponification of the ester, 2.8 g. 2,4,6-triscarboxymethylthio-5-phenylpyrimidine, m. 221-3° (H2O). Some uv spectroscopical data on the above-mentioned compounds are given which prove sterical hindrance of coplanarity in the benzene and pyrimidine nuclei, effected by substituents in the position 4 and 6 of the pyrimidine nucleus and in the position 2 of the benzene nucleus, and the resulting hindrance of the conjugation. IIIa raised markedly blood pressure in mice and II (R1  Ph, R2  SCH2CO2H) showed a virus-inhibiting effect on influenza pneumonia in mice. The experimental process involved the reaction of Dimethyl 2-(4-nitrophenyl)malonate(cas: 4033-88-9Formula: C11H11NO6)

Dimethyl 2-(4-nitrophenyl)malonate(cas: 4033-88-9) 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. 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.Formula: C11H11NO6

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