Category: 4949-44-4

In 2019,Journal of Medicinal Chemistry included an article by Yang, Wei; Li, Yingjun; Ai, Yong; Obianom, Obinna N.; Guo, Dong; Yang, Hong; Sakamuru, Srilatha; Xia, Menghang; Shu, Yan; Xue, Fengtian. SDS of cas: 4949-44-4. The article was titled 《Pyrazole-4-Carboxamide (YW2065): A Therapeutic Candidate for Colorectal Cancer via Dual Activities of Wnt/β-Catenin Signaling Inhibition and AMP-Activated Protein Kinase (AMPK) Activation》. The information in the text is summarized as follows:

Dysregulation of the Wnt/β-catenin signaling pathway has been widely recognized as a pathogenic mechanism for colorectal cancer (CRC). Although numerous Wnt inhibitors have been developed, they commonly suffer from toxicity and unintended effects. Moreover, concerns have been raised in targeting this pathway because of its critical roles in maintaining stem cells and regenerating tissues and organs. On the basis of the anthelmintic drug pyrvinium and previous lead FX1128, we have developed a compound YW2065 (1c) which demonstrated excellent anti-CRC effects in vitro and in vivo. YW2065 achieves its inhibitory activity for Wnt signaling by stabilizing Axin-1, a scaffolding protein that regulates proteasome degradation of β-catenin. Simultaneously, YW2065 also led to the activation of the tumor suppressor AMPK, providing an addnl. anticancer mechanism. In addition, YW2065 showed favorable pharmacokinetic properties without obvious toxicity. The anti-CRC effect of YW2065 was highlighted by its promising efficacy in a mice xenograft model. In the experiment, the researchers used many compounds, for example, Ethyl 3-oxopentanoate(cas: 4949-44-4SDS of cas: 4949-44-4)

Ethyl 3-oxopentanoate(cas: 4949-44-4) belongs to ketone compounds. Ketones are highly reactive, although less so than aldehydes, to which they are closely related. Much of their chemical activity results from the nature of the carbonyl group. Ketones readily undergo a wide variety of chemical reactions.SDS of cas: 4949-44-4

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

Li, Aipeng; Wang, Ting; Tian, Qing; Yang, Xiaohong; Yin, Dongming; Qin, Yong; Zhang, Lianbing published their research in Chemistry – A European Journal in 2021. The article was titled 《Single-Point Mutant Inverts the Stereoselectivity of a Carbonyl Reductase toward β-Ketoesters with Enhanced Activity》.Category: esters-buliding-blocks The article contains the following contents:

Enzyme stereoselectivity control is still a major challenge. To gain insight into the mol. basis of enzyme stereo-recognition and expand the source of antiPrelog carbonyl reductase toward β-ketoesters, rational enzyme design aiming at stereoselectivity inversion was performed. The designed variant Q139G switched the enzyme stereoselectivity toward β-ketoesters from Prelog to antiPrelog, providing corresponding alcs. in high enantiomeric purity (89.1-99.1% ee). More importantly, the well-known trade-off between stereoselectivity and activity was not found. Q139G exhibited higher catalytic activity than the wild-type enzyme, the enhancement of the catalytic efficiency (kcat/Km) varied from 1.1- to 27.1-fold. Interestingly, the mutant Q139G did not lead to reversed stereoselectivity toward aromatic ketones. Anal. of enzyme-substrate complexes showed that the structural flexibility of β-ketoesters and a newly formed cave together facilitated the formation of the antiPrelog-preferred conformation. In contrast, the relatively large and rigid structure of the aromatic ketones prevents them from forming the antiPrelog-preferred conformation. In the experiment, the researchers used Ethyl 3-oxopentanoate(cas: 4949-44-4Category: esters-buliding-blocks)

Ethyl 3-oxopentanoate(cas: 4949-44-4) belongs to ketone compounds. Ketones are highly reactive, although less so than aldehydes, to which they are closely related. Much of their chemical activity results from the nature of the carbonyl group. Ketones readily undergo a wide variety of chemical reactions.Category: esters-buliding-blocks

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

Chang, Wenxu; Li, Zongyang; Yuan, Chenhui; Liu, Xinying; Feng, Jiyao; Pang, Sen; Duan, Liusheng; Zhang, Zhenhua published an article in 2022. The article was titled 《Synthesis of Highly Substituted 2-Aminopyridines from Vinyl Azides, Isonitriles, and Ketones》, and you may find the article in Chemistry – An Asian Journal.Application of 4949-44-4 The information in the text is summarized as follows:

Authors developed a facile, efficient method for synthesizing highly substituted 2-aminopyridines I (R1 = Ph, 2-MeC6H4, 4-ClC6H4, etc.; R2 = t-Bu, c-hexyl, Bn, etc.; R3 = Me, i-Pr, 4-O2NC6H4, etc.; R4 = CN, COMe, COOEt, etc.) from unstable vinyl carbodiimides generated in situ in a one-pot transformation. A series of novel highly substituted 3-functionalized 2-aminopyridines were produced in good yields. Reaction mechanism studies, which included control experiments and d.-functional theory (DFT) calculations, demonstrated that Rh and potassium carbonate played key roles in the cyclization step. After reading the article, we found that the author used Ethyl 3-oxopentanoate(cas: 4949-44-4Application of 4949-44-4)

Ethyl 3-oxopentanoate(cas: 4949-44-4) belongs to ketone compounds. Ketones are highly reactive, although less so than aldehydes, to which they are closely related. Much of their chemical activity results from the nature of the carbonyl group. Ketones readily undergo a wide variety of chemical reactions.Application of 4949-44-4

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

In 2022,Li, Zhao-Feng; He, Hong-Jiao; Wang, Rong-Hui; Zhou, Li-Yan; Xiao, You-Cai; Chen, Fen-Er published an article in Organic Chemistry Frontiers. The title of the article was 《Copper-catalyzed asymmetric alkynylation of pyrazole-4,5-diones using chloramphenicol base-derived hydroxyl oxazoline ligands》.Application of 4949-44-4 The author mentioned the following in the article:

The asym. copper-catalyzed alkynylation reactions of pyrazole 4,5-diones in the presence of a hydroxyl oxazoline ligand, which was derived from low cost, easily accessible chloramphenicol base (ANP), was reported. The notable features of this protocol include its mild and base additive free reaction conditions and broad functional group tolerance. In addition to this study using Ethyl 3-oxopentanoate, there are many other studies that have used Ethyl 3-oxopentanoate(cas: 4949-44-4Application of 4949-44-4) was used in this study.

Ethyl 3-oxopentanoate(cas: 4949-44-4) belongs to ketone compounds. Ketones are highly reactive, although less so than aldehydes, to which they are closely related. Much of their chemical activity results from the nature of the carbonyl group. Ketones readily undergo a wide variety of chemical reactions.Application of 4949-44-4

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

In 2022,Peng, Ting; He, Yujiao; Wang, Tao; Yu, Jialing; Ma, Xiaofang; Zhou, Zongyuan; Sheng, Yuwen; Li, Lingyu; Peng, Huipan; Li, Sheng; Zou, Jiawei; Yuan, Yi; Zhao, Yongyun; Shi, Hailong; Li, Fu; Liu, Wanli; Hu, Kaifeng; Lu, Xiaoxia; Zhang, Guolin; Wang, Fei published an article in Journal of Medicinal Chemistry. The title of the article was 《Discovery of a Novel Small-Molecule Inhibitor Disrupting TRBP-Dicer Interaction against Hepatocellular Carcinoma via the Modulation of microRNA Biogenesis》.Recommanded Product: 4949-44-4 The author mentioned the following in the article:

MicroRNAs (miRNAs) are key players in human hepatocellular carcinoma (HCC) tumorigenesis. Therefore, small mols. targeting components of miRNA biogenesis may provide new therapeutic means for HCC treatment. By a high-throughput screening and structural simplification, we identified a small mol., CIB-3b (I), which suppresses the growth and metastasis of HCC in vitro and in vivo by modulating expression profiles of miRNAome and proteome in HCC cells. Mechanistically, CIB-3b phys. binds to transactivation response (TAR) RNA-binding protein 2 (TRBP) and disrupts the TRBP-Dicer interaction, thereby altering the activity of Dicer and mature miRNA production Structure-activity relationship study via the synthesis of 45 CIB-3b derivatives showed that some compounds exhibited a similar inhibitory effect on miRNA biogenesis to CIB-3b. These results support TRBP as a potential therapeutic target in HCC and warrant further development of CIB-3b along with its analogs as a novel therapeutic strategy for the treatment of HCC. In addition to this study using Ethyl 3-oxopentanoate, there are many other studies that have used Ethyl 3-oxopentanoate(cas: 4949-44-4Recommanded Product: 4949-44-4) was used in this study.

Ethyl 3-oxopentanoate(cas: 4949-44-4) belongs to ketone compounds. They are most widely used as solvents, especially in industries manufacturing explosives, lacquers, paints, and textiles. Ketones are also used in tanning, as preservatives, and in hydraulic fluids.Recommanded Product: 4949-44-4

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

In 2022,Yang, Lin; Zhang, Yiping; Liu, Yan; Wang, Hualei; Wei, Dongzhi published an article in Biochemical Engineering Journal. The title of the article was 《Highly efficient synthesis of pharmaceutically relevant chiral 3-N-substituted-azacyclic alcohols using two enantiocomplementary short chain dehydrogenases》.Electric Literature of C7H12O3 The author mentioned the following in the article:

Two stereocomplementary alc. dehydrogenases from Flavobacterium psychrophilum (FpADH) and Flavobacterium sp. was reported. (FsADH), which showed the potential industrial application in highly efficient synthesis of a series of enantiomerically pure 3-N-substituted-azacyclic alochols. Both the enzymes showed high catalytic activity toward the model substrate N-Boc-4-piperidone (NBPO) and presented a strict enantioselectivity for the corresponding alc. products. In addition, both enzymes showed broad substrate scope, including ketoesters, acryl ketones and heterocyclic ketones. Using glucose dehydrogenase coexpressed with each of the enzymes to realize the efficient coenzyme recycling, various pharmaceutically relevant chiral 3-N-Boc azacyclic alcs. were asym. synthesized at high substrate concentrations (343.7-643.8 g/L) and low equilvelent of NADP+ (0.1 mM) with excellent enantioselectivity (> 99.5% e.e), which have met the requirements of biocatalytic processes in the industry and demonstrated the feasibility of FpADH and FsADH for industrial application in the biotransformation of chiral 3-N-substituted-azacyclic alcs. The mol. basis of the enantioselectivity and catalytic efficiency of both enzymes were revealed the by mol. docking and MD simulation anal. The results came from multiple reactions, including the reaction of Ethyl 3-oxopentanoate(cas: 4949-44-4Electric Literature of C7H12O3)

Ethyl 3-oxopentanoate(cas: 4949-44-4) belongs to ketone compounds. They are most widely used as solvents, especially in industries manufacturing explosives, lacquers, paints, and textiles. Ketones are also used in tanning, as preservatives, and in hydraulic fluids.Electric Literature of C7H12O3

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

《Structure-Based Design, Synthesis, and Biological Evaluation of New Triazolo[1,5-a]Pyrimidine Derivatives as Highly Potent and Orally Active ABCB1 Modulators》 was written by Wang, Shuai; Wang, Sai-Qi; Teng, Qiu-Xu; Yang, Linlin; Lei, Zi-Ning; Yuan, Xiao-Han; Huo, Jun-Feng; Chen, Xiao-Bing; Wang, Mengru; Yu, Bin; Chen, Zhe-Sheng; Liu, Hong-Min. Computed Properties of C7H12O3 And the article was included in Journal of Medicinal Chemistry in 2020. The article conveys some information:

ABCB1 is a promising therapeutic target for overcoming multidrug resistance (MDR). In this work, we reported the structure-based design of triazolo[1,5-a]pyrimidines as new ABCB1 modulators, of which WS-691 significantly increased sensitization of ABCB1-overexpressed SW620/Ad300 cells to paclitaxel (PTX) (IC50 = 22.02 nM). Mechanistic studies indicated that WS-691 significantly increased the intracellular concentration of PTX and [3H]-PTX while decreasing the efflux of [3H]-PTX in SW620/Ad300 cells by inhibiting the efflux function of ABCB1. The cellular thermal shift assay suggested that WS-691 could stabilize ABCB1 by directly binding to ABCB1. WS-691 could stimulate the activity of ABCB1 ATPase but had almost no inhibitory activity against CYP3A4. Importantly, WS-691 increased the sensitivity of SW620/Ad300 cells to PTX in vivo without observed toxicity. Collectively, WS-691(I) is a highly potent and orally active ABCB1 modulator capable of overcoming MDR. The triazolo[1,5-a]pyrimidine may be a promising scaffold for developing more potent ABCB1 modulators.Ethyl 3-oxopentanoate(cas: 4949-44-4Computed Properties of C7H12O3) was used in this study.

Ethyl 3-oxopentanoate(cas: 4949-44-4) belongs to ketone compounds. They are most widely used as solvents, especially in industries manufacturing explosives, lacquers, paints, and textiles. Ketones are also used in tanning, as preservatives, and in hydraulic fluids.Computed Properties of C7H12O3

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

《Development of Highly Potent, Selective, and Cellular Active Triazolo[1,5-a]pyrimidine-Based Inhibitors Targeting the DCN1-UBC12 Protein-Protein Interaction》 was written by Wang, Shuai; Zhao, Lijie; Shi, Xiao-Jing; Ding, Lina; Yang, Linlin; Wang, Zhi-Zheng; Shen, Dandan; Tang, Kai; Li, Xiao-Jing; Mamun, MAA; Li, Huiju; Yu, Bin; Zheng, Yi-Chao; Wang, Shaomeng; Liu, Hong-Min. Application of 4949-44-4This research focused ontriazolo pyrimidine derivative preparation DCN1 UBC12 protein interaction cancer. The article conveys some information:

The cullin-RING ubiquitin ligases (CRLs) are responsible for about 20% of cellular protein degradation and regulate diverse cellular processes, and the dysfunction of CRLs is implicated in human diseases. Targeting the CRLs has become an emerging strategy for the treatment of human diseases. Herein, we describe the discovery of a hit compound from our inhouse library and further structure-based optimizations, which have enabled the identification of new triazolo[1,5-a]pyrimidine-based inhibitors targeting the DCN1-UBC12 interaction. Compound WS-383 blocks the DCN1-UBC12 interaction (IC50 = 11 nM) reversibly and shows selectivity over selected kinases. WS-383 exhibits cellular target engagement to DCN1 in MGC-803 cells. WS-383 inhibits Cul3/1 neddylation selectively over other cullins and also induces accumulation of p21, p27, and NRF2. Collectively, targeting the DCN1-UBC12 interaction would be a viable strategy for selective neddylation inhibition of Cul3/1 and may be of therapeutic potential for disease treatment in which Cul3/1 is dysregulated. After reading the article, we found that the author used Ethyl 3-oxopentanoate(cas: 4949-44-4Application of 4949-44-4)

Ethyl 3-oxopentanoate(cas: 4949-44-4) belongs to ketone compounds. They are most widely used as solvents, especially in industries manufacturing explosives, lacquers, paints, and textiles. Ketones are also used in tanning, as preservatives, and in hydraulic fluids.Application of 4949-44-4

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

In 2022,Cho, Nobuo; Kikuzato, Ko; Futamura, Yushi; Shimizu, Takeshi; Hayase, Hiroki; Kamisaka, Kikuko; Takaya, Daisuke; Yuki, Hitomi; Honma, Teruki; Niikura, Mamoru; Kobayashi, Fumie; Watanabe, Nobumoto; Osada, Hiroyuki; Koyama, Hiroo published an article in Bioorganic & Medicinal Chemistry. The title of the article was 《New antimalarials identified by a cell-based phenotypic approach: Structure-activity relationships of 2,3,4,9-tetrahydro-1H-β-carboline derivatives possessing a 2-((coumarin-5-yl)oxy)alkanoyl moiety》.Recommanded Product: 4949-44-4 The author mentioned the following in the article:

The identification, structure-activity relationships (SARs) and biol. effects of new antimalarials I [R = Me, Et, cyclopropylmethyl, etc.; R1 = Me, Et, Pr, etc.; R2 = H; R3 = C(O)OMe, C(O)Me, C(O)NHMe, etc.; R4 = H, Me, morpholin-4-yl] consisting of a 2,3,4,9-tetrahydro-1H-β-carboline core, a coumarin ring and an oxyalkanoyl linker was described. A cell-based phenotypic approach was employed in this search for novel antimalarial drugs with unique modes of action. This screening campaign of the RIKEN compound library succeeded in the identification of the known tetrahydro-β-carboline derivative I [R = n-Bu, R1 = H, R2 = H, R3 = C(O)OMe, R4 = Me] as a hit compound showing significant in vitro activity. SAR studies on this chem. series led to the discovery of compound I [R = n-Bu, R1 = (R)-Me, R2 = H, R3 = (S)-C(O)OMe, R4 = Me] having a (R)-Me group on the oxyacetyl linker with potent inhibition of parasite growth (IC50 = 2.0 nM). Compound I [R = n-Bu, R1 = (R)-Me, R2 = H, R3 = (S)-C(O)OMe, R4 = Me] was also found to exhibit significant in vivo antimalarial effects in mouse models. Furthermore, mol. modeling studies on compounds I [R = n-Bu, R1 = H, (R/S)-Me, R2 = H, R3 = (S)-C(O)OMe, R4 = Me] suggested that the (R)-Me group of 4h forces the preferential adoption of a specific conformer which was considered to be an active conformer. The experimental process involved the reaction of Ethyl 3-oxopentanoate(cas: 4949-44-4Recommanded Product: 4949-44-4)

Ethyl 3-oxopentanoate(cas: 4949-44-4) belongs to ketone compounds. Ketones are highly reactive, although less so than aldehydes, to which they are closely related. Much of their chemical activity results from the nature of the carbonyl group. Ketones readily undergo a wide variety of chemical reactions.Recommanded Product: 4949-44-4

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

Synthetic Route of C7H12O3In 2020 ,《Automated Synthesis of New Quinoxalinetacrines》 appeared in ChemistrySelect. The author of the article were Bautista-Aguilera, Oscar M.; Ismaili, Lhassane; Chioua, Mourad; Iriepa, Isabel; Angeles Martinez-Grau, Maria; Beadle, Christopher D.; Vetman, Tatiana; Lopez-Munoz, Francisco; Marco-Contelles, Jose. The article conveys some information:

The synthesis of novel quinoxalinetacrines e.g., I, a series of hybrids designed by juxtaposition of tacrine and quinoxaline is reported. The target compounds e.g., I have been obtained in moderate yields from 3-aminoquinoxaline-2-carbonitrile and suitable com. available ketones such as pentane-2,4-dione, 5,5-dimethylcyclohexane-1,3-dione, 1-benzoylpiperidin-4-one, etc. under microwave-promoted Friedlaender reactions catalyzed by aluminum trichloride or indium trichloride. These compounds e.g., I were synthesized remotely in Eli Lilly’s Automated Synthesis Laboratory as part of their Open Innovation Drug Discovery program. In addition to this study using Ethyl 3-oxopentanoate, there are many other studies that have used Ethyl 3-oxopentanoate(cas: 4949-44-4Synthetic Route of C7H12O3) was used in this study.

Ethyl 3-oxopentanoate(cas: 4949-44-4) belongs to ketone compounds. They are most widely used as solvents, especially in industries manufacturing explosives, lacquers, paints, and textiles. Ketones are also used in tanning, as preservatives, and in hydraulic fluids.Synthetic Route of C7H12O3

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