Month: December 2022

Henning, Nathaniel J. published the artcileDiscovery of a Covalent FEM1B Recruiter for Targeted Protein Degradation Applications, SDS of cas: 79-07-2, the publication is Journal of the American Chemical Society (2022), 144(2), 701-708, database is CAplus and MEDLINE.

A cysteine-reactive covalent ligand, EN106, that targets FEM1B, an E3 ligase recently discovered as the critical component of the cellular response to reductive stress was disclosed. By targeting C186 in FEM1B, EN106 disrupted recognition of the key reductive stress substrate of FEM1B, FNIP1. Further established that EN106 was used as a covalent recruiter for FEM1B in TPD applications by demonstrating that a PROTAC linking EN106 to the BET Bromodomain inhibitor JQ1 or the kinase inhibitor dasatinib led to the degradation of BRD4 and BCR-ABL, resp. Study showcased a covalent ligand that targets a natural E3 ligase-substrate binding site and highlights the utility of covalent ligand screening in expanding the arsenal of E3 ligase recruiters suitable for TPD applications.

Journal of the American Chemical Society published new progress about 79-07-2. 79-07-2 belongs to amides-buliding-blocks, auxiliary class Chloride,Amine,Aliphatic hydrocarbon chain,Amide,Inhibitor, name is 2-Chloroacetamide, and the molecular formula is C2H4ClNO, SDS of cas: 79-07-2.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Bajaj, Megha published the artcileDiscovery of Novel Pneumococcal Surface Antigen A (PsaA) Inhibitors Using a Fragment-based Drug Design Approach, Related Products of amides-buliding-blocks, the publication is ACS Chemical Biology (2015), 10(6), 1511-1520, database is CAplus and MEDLINE.

Streptococcus pneumoniae is a leading cause of life-threatening bacterial infections, especially in young children in developing countries. Pneumococcal infections can be treated with β-lactam antibiotics, but rapid emergence of multidrug-resistant strains of S. pneumoniae over the past two decades has emphasized the need to identify novel drug targets. Pneumococcal surface antigen A (PsaA) is one such target, found on the cell surface of S. pneumoniae. It functions as a high-affinity substrate-binding protein, facilitating acquisition of Mn²⁺, which has an important role in protecting S. pneumoniae from reactive oxygen species and, hence, oxidative stress. Consequently, PsaA is essential for bacterial survival and an important virulence factor, which makes it a promising target for antibiotic drug development. To design novel PsaA inhibitors, we used a combination of de novo fragment-based drug discovery and in silico virtual screening methods. We profiled a collection of low mol. weight compounds that were selected based on their structural diversity and ability to bind to apo-PsaA in a virtual docking experiment The screening resulted in two initial hits that were further optimized by structural variation to improve their potency while maintaining their ligand efficiency and favorable physicochem. properties. The optimized hits were validated using a cell-based assay and mol. dynamics simulations. We found that virtual screening substantially augmented fragment-based drug design approaches, leading to the identification of novel pneumococcal PsaA inhibitors.

ACS Chemical Biology published new progress about 489-17-8. 489-17-8 belongs to amides-buliding-blocks, auxiliary class Fluoride,Sulfamide,Amine,Benzene, name is 4-Fluoro-2-methylbenzenesulfonamide, and the molecular formula is C7H8FNO2S, Related Products of amides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Mamedov, Vakhid A. published the artcileNew and efficient synthesis of 3-arylquinazolin-4(1H)-ones and biologically important N-fused tetracycles based on N-(2-carboxyphenyl)oxalamide, Synthetic Route of 79-07-2, the publication is Tetrahedron Letters (2021), 153327, database is CAplus.

A novel clean, one-pot syntheses of 3-arylquinazolin-4(3H)-ones and quinoxalino[2,1-b]quinazoline-6,12(5H)-diones via PPA-mediated coupling of N-(2-carboxyphenyl)oxalamides with arylamines and 1,2-benzenediamines had been developed. Under mild reaction conditions with use of Na₂S₂O₄ the benzimidazo[2,1-b]quinazolin-12-ones were achieved in good yield from 3-(2-nitrophenyl)quinazolin-4-ones.

Tetrahedron Letters published new progress about 79-07-2. 79-07-2 belongs to amides-buliding-blocks, auxiliary class Chloride,Amine,Aliphatic hydrocarbon chain,Amide,Inhibitor, name is 2-Chloroacetamide, and the molecular formula is C2H4ClNO, Synthetic Route of 79-07-2.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Trecourt, Francois published the artcileSynthesis of 11H-pyrido[2,3-a]carbazoles and 6H-pyrido[3,2-b]carbazoles from bromo-8-methoxyquinolines, HPLC of Formula: 146140-95-6, the publication is Tetrahedron (1995), 51(43), 11743-50, database is CAplus.

Cross-coupling reaction via substituted 7-bromoquinolines and (2-aminophenyl)boric acids afforded substituted 7-(2-aminophenyl)quinolines. These compounds are intermediates for 11H-pyrido[2,3-a]carbazoles and 6H-pyrido[3,2-b]carbazoles.

Tetrahedron published new progress about 146140-95-6. 146140-95-6 belongs to amides-buliding-blocks, auxiliary class Boronic acid and ester,Amine,Benzene,Amide,Boronic Acids,Boronic Acids,Boronic acid and ester,, name is (2-Pivalamidophenyl)boronic acid, and the molecular formula is C12H10F2Si, HPLC of Formula: 146140-95-6.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Mohbiya, Dhanraj R. published the artcileInfluence of acceptors in NLOphoric aacenaphthene and morpholine-thiourea hybrid dyes: Photophysical, viscosity, DFT and Z-Scan study, COA of Formula: C5H10N2OS, the publication is Optical Materials (Amsterdam, Netherlands) (2019), 178-190, database is CAplus.

Three novel fluorescent NLOphoric push-pull fluorophores (2a-c) constituted by different cyano containing acceptors linked to morpholine-thiourea (donor) and acenaphthene (rotor) hybrid were synthesized and characterized. They exhibit pos. absorption and emission solvatochromism. The solvent polarity function based Lippert-Mataga plot provides the validation of charge transfer (CT) characteristics whereas, Rettig plot furnishes an alternative relaxation channel due to twisting around the σ-bonds between donor and acceptor on photoexcitation leading to the twisted intramol. charge transfer (TICT) state in dyes 2a-c. Viscosity induced emission studies show 4.18, 17.61, and 5.30 fold increase in the emission intensity for dyes 2a, 2b, and 2c resp. which recommends these dyes as fluorescent mol. rotors (FMR). D. Functional Theory (DFT) calculations [B3LYP/6-311++G(d,p)] give complete information of structural as well as electronic properties of dyes 2a-c. The difference in dipole moment (ca. 4.86-8.23 D) results in a strong non-linear optical (NLO) properties which increases in the order 2a< 2b < 2c. Z-scan studies reveal that the dyes possesses reverse-saturable i.e. pos. type of absorption non-linearity resulting in a pos. values of β (2c > 2b > 2a). The lower optical limiting threshold values for dyes 2a-c, made them suitable for the use in the application of NLO materials.

Optical Materials (Amsterdam, Netherlands) published new progress about 14294-10-1. 14294-10-1 belongs to amides-buliding-blocks, auxiliary class Morpholine,Thiourea,Amine,Amide, name is Morpholine-4-carbothioamide, and the molecular formula is C5H10N2OS, COA of Formula: C5H10N2OS.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Pike, Kurt G. published the artcileOptimization of potent and selective dual mTORC1 and mTORC2 inhibitors: The discovery of AZD8055 and AZD2014, Application of N-(2-Hydroxyethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, the publication is Bioorganic & Medicinal Chemistry Letters (2013), 23(5), 1212-1216, database is CAplus and MEDLINE.

The optimization of a potent and highly selective series of dual mTORC1 and mTORC2 inhibitors is described. An initial focus on improving cellular potency while maintaining or improving other key parameters, such as aqueous solubility and margins over hERG IC₅₀, led to the discovery of the clin. candidate AZD8055. Further optimization, particularly aimed at reducing the rate of metabolism in human hepatocyte incubations, resulted in the discovery of the clin. candidate AZD2014.

Bioorganic & Medicinal Chemistry Letters published new progress about 943911-66-8. 943911-66-8 belongs to amides-buliding-blocks, auxiliary class Boronic acid and ester,Amine,Benzene,Amide,Alcohol,Boronate Esters,Boronic Acids,Boronic acid and ester, name is N-(2-Hydroxyethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, and the molecular formula is C15H22BNO4, Application of N-(2-Hydroxyethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Pike, Kurt G. published the artcileOptimization of potent and selective dual mTORC1 and mTORC2 inhibitors: The discovery of AZD8055 and AZD2014, Computed Properties of 1197171-76-8, the publication is Bioorganic & Medicinal Chemistry Letters (2013), 23(5), 1212-1216, database is CAplus and MEDLINE.

The optimization of a potent and highly selective series of dual mTORC1 and mTORC2 inhibitors is described. An initial focus on improving cellular potency while maintaining or improving other key parameters, such as aqueous solubility and margins over hERG IC₅₀, led to the discovery of the clin. candidate AZD8055. Further optimization, particularly aimed at reducing the rate of metabolism in human hepatocyte incubations, resulted in the discovery of the clin. candidate AZD2014.

Bioorganic & Medicinal Chemistry Letters published new progress about 1197171-76-8. 1197171-76-8 belongs to amides-buliding-blocks, auxiliary class Boronic acid and ester,Amine,Benzene,Amide,Boronate Esters,Boronic Acids,Boronic acid and ester,, name is N-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, and the molecular formula is C14H20BNO3, Computed Properties of 1197171-76-8.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Medo, Juraj published the artcileChanges in soil microbial community and activity caused by application of dimethachlor and linuron, COA of Formula: C2H4ClNO, the publication is Scientific Reports (2021), 11(1), 12786, database is CAplus and MEDLINE.

Soil microorganisms and their activities are essential for maintaining soil health and fertility. Microorganisms can be neg. affected by application of herbicides. Although effects of herbicides on microorganisms are widely studied, there is a lack of information for chloroacetamide herbicide dimethachlor. Thus, dimethachlor and well known linuron were applied to silty-loam luvisol and their effects on microorganisms were evaluated during112 days long laboratory assay. Dimethachlor and linuron were applied in doses 1.0 kg ha^-1 and 0.8 kg ha^-1 corresponding to 3.33 mg kg^-1 and 2.66 mg kg^-1 resp. Also 100-fold doses were used for magnification of impacts. Linuron in 100-fold dose caused minor increase of respiration, temporal increase of soil microbial biomass, decrease of soil dehydrogenase activity, and altered microbial community. Dimethachlor in 100-fold dose significantly increased respiration; microbial biomass and decreased soil enzymic activities. Microbial composition changed significantly, Proteobacteria abundance, particularly Pseudomonas and Achromobacter genera increased from 7 to 28th day. In-silico prediction of microbial gene expression by PICRUSt2 software revealed increased expression of genes related to xenobiotic degradation pathways. Evaluated characteristics of microbial community and activity were not affected by herbicides in recommended doses and the responsible use of both herbicides will not harm soil microbial community.

Scientific Reports published new progress about 79-07-2. 79-07-2 belongs to amides-buliding-blocks, auxiliary class Chloride,Amine,Aliphatic hydrocarbon chain,Amide,Inhibitor, name is 2-Chloroacetamide, and the molecular formula is C2H4ClNO, COA of Formula: C2H4ClNO.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Sugimoto, Hirohiko published the artcileActivation of dithiocarbamate by 2-halothiazolium salts, Synthetic Route of 14294-10-1, the publication is Journal of Organic Chemistry (1988), 53(10), 2263-7, database is CAplus.

Activation of dithiocarbamate salts with 2-halo-3-alkyl-4-phenylthiazolium salts and subsequent 1-pot nucleophilic reactions with N, S, and O nucleophiles gave substituted thioureas, dithiocarbamates, and thiocarbamates or amides, resp., under very mild conditions. A useful thiocarbonyl-transfer reaction that consists of activation of imidazolodithiocarbamate and a subsequent 1-pot nucleophilic reaction is also described. (Thiocarbonyl)diimidazole is generated in situ.

Journal of Organic Chemistry published new progress about 14294-10-1. 14294-10-1 belongs to amides-buliding-blocks, auxiliary class Morpholine,Thiourea,Amine,Amide, name is Morpholine-4-carbothioamide, and the molecular formula is C10H11NO4, Synthetic Route of 14294-10-1.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Subramanian, Bhagawat C. published the artcileThe role of the LTB₄-BLT1 axis in chemotactic gradient sensing and directed leukocyte migration, Synthetic Route of 321673-30-7, the publication is Seminars in Immunology (2017), 16-29, database is CAplus and MEDLINE.

Directed leukocyte migration is a hallmark of inflammatory immune responses. Leukotrienes are derived from arachidonic acid and represent a class of potent lipid mediators of leukocyte migration. In this review, we summarize the essential steps leading to the production of LTB₄ in leukocytes. We discuss the recent findings on the exosomal packaging and transport of LTB₄ in the context of chemotactic gradients formation and regulation of leukocyte recruitment. We also discuss the dynamic roles of the LTB₄ receptors, BLT1 and BLT2, in mediating chemotactic signaling in leukocytes and contrast them to other structurally related leukotrienes that bind to distinct GPCRs. Finally, we highlight the specific roles of the LTB₄-BLT1 axis in mediating signal-relay between chemotaxing neutrophils and its potential contribution to a wide variety of inflammatory conditions including tumor progression and metastasis, where LTB₄ is emerging as a key signaling component.

Seminars in Immunology published new progress about 321673-30-7. 321673-30-7 belongs to amides-buliding-blocks, auxiliary class Immunology/Inflammation,Scavenger receptor, name is [(2-Hexylcyclopentylidene)amino]thiourea, and the molecular formula is C15H14O, Synthetic Route of 321673-30-7.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics