Category: 915763-60-9

Rowbottom, Martin W. published the artcileSynthesis and structure-activity relationships of spirohydantoin-derived small-molecule antagonists of the melanin-concentrating hormone receptor-1 (MCH-R1), Recommanded Product: (3-Chloro-5-cyanophenyl)boronic acid, the publication is Bioorganic & Medicinal Chemistry Letters (2007), 17(8), 2171-2178, database is CAplus and MEDLINE.

The design, synthesis, and SAR of a series of substituted spirohydantoins, e.g., I, are described. Optimization of an inhouse screening hit gave compounds that exhibited potent binding affinity and functional activity at MCH-R1.

Bioorganic & Medicinal Chemistry Letters published new progress about 915763-60-9. 915763-60-9 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Nitrile,Boronic acid and ester,Benzene,Boronic Acids,Boronic acid and ester, name is (3-Chloro-5-cyanophenyl)boronic acid, and the molecular formula is C7H5BClNO2, Recommanded Product: (3-Chloro-5-cyanophenyl)boronic acid.

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

Narjes, Frank published the artcilePotent and Orally Bioavailable Inverse Agonists of RORγt Resulting from Structure-Based Design, COA of Formula: C7H5BClNO2, the publication is Journal of Medicinal Chemistry (2018), 61(17), 7796-7813, database is CAplus and MEDLINE.

Retinoic acid receptor related orphan receptor γt (RORγt), has been identified as the master regulator of T_H17-cell function and development, making it an attractive target for the treatment of autoimmune diseases by a small-mol. approach. Herein, we describe our investigations on a series of 4-aryl-thienyl acetamides, which were guided by insights from X-ray cocrystal structures. Efforts in targeting the cofactor-recruitment site from the 4-aryl group on the thiophene led to a series of potent binders with nanomolar activity in a primary human-T_H17-cell assay. The observation of a DMSO mol. binding in a subpocket outside the LBD inspired the introduction of an acetamide into the benzylic position of these compounds Hereby, a hydrogen-bond interaction of the introduced acetamide oxygen with the backbone amide of Glu379 was established. This greatly enhanced the cellular activity of previously weakly cell-active compounds The best compounds combined potent inhibition of IL-17 release with favorable PK in rodents, with compound 32 representing a promising starting point for future investigations.

Journal of Medicinal Chemistry published new progress about 915763-60-9. 915763-60-9 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Nitrile,Boronic acid and ester,Benzene,Boronic Acids,Boronic acid and ester, name is (3-Chloro-5-cyanophenyl)boronic acid, and the molecular formula is C7H5BClNO2, COA of Formula: C7H5BClNO2.

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

Parmar, Tejasvi H. published the artcileSynthesis of novel drug-like small molecules library based on 1H-benzo[d]imidazole, Quality Control of 915763-60-9, the publication is Australian Journal of Chemistry (2022), 75(4), 276-284, database is CAplus.

A series of novel ‘drug-like’ small mols. based on 1H-benzo[d]imidazole derivatives bearing furan-2-yl, 4-piperidine and 5-aryl/aminoaryl substitutions were designed and synthesized. The key intermediate tert-butyl-4-(5-bromo-2-(furan-2-yl)-1H-benzo[d]imidazol-1-yl)piperidine-1-carboxylate was synthesized via sequential reaction starting from 4-bromo-1-fluoro-2-nitrobenzene. The 5-aryl-substituted mol. library was generated via Suzuki-Miyaura coupling of the key intermediate with various boronic acids while Buchwald coupling with various anilines generated the second mol. library of tert-butyl-4-(2-(furan-2-yl)-5-(arylamino)-1H -benzo[d]imidazol-1-yl)piperidine-1-carboxylates. The structures of all the newly synthesized compounds were confirmed by spectral anal. The optimized procedure gives easy access to two new mol. libraries of 1H-benzo[d]imidazoles with operational simplicity and good yield.

Australian Journal of Chemistry published new progress about 915763-60-9. 915763-60-9 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Nitrile,Boronic acid and ester,Benzene,Boronic Acids,Boronic acid and ester, name is (3-Chloro-5-cyanophenyl)boronic acid, and the molecular formula is C7H5BClNO2, Quality Control of 915763-60-9.

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

Ciordia, Myriam published the artcileApplication of Free Energy Perturbation for the Design of BACE1 Inhibitors, Name: (3-Chloro-5-cyanophenyl)boronic acid, the publication is Journal of Chemical Information and Modeling (2016), 56(9), 1856-1871, database is CAplus and MEDLINE.

Novel spiroaminodihydropyrroles probing for optimized interactions at the P3 pocket of β-secretase 1 (BACE1) were designed with the use of free energy perturbation (FEP) calculations The resulting mols. showed pIC₅₀ potencies in enzymic BACE1 inhibition assays ranging from approx. 5 to 7. Good correlation was observed between the predicted activity from the FEP calculations and exptl. activity. Simulations run with a default 5 ns approach delivered a mean unsigned error (MUE) between prediction and experiment of 0.58 and 0.91 kcal/mol for retrospective and prospective applications, resp. With longer simulations of 10 and 20 ns, the MUE was in both cases 0.57 kcal/mol for the retrospective application, and 0.69 and 0.59 kcal/mol for the prospective application. Other considerations that impact the quality of the calculations are discussed. This work provides an example of the value of FEP as a computational tool for drug discovery.

Journal of Chemical Information and Modeling published new progress about 915763-60-9. 915763-60-9 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Nitrile,Boronic acid and ester,Benzene,Boronic Acids,Boronic acid and ester, name is (3-Chloro-5-cyanophenyl)boronic acid, and the molecular formula is C7H5BClNO2, Name: (3-Chloro-5-cyanophenyl)boronic acid.

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

Khorsandi, Zahra published the artcileVisible light-driven direct synthesis of ketones from aldehydes via C-H bond activation using NiCu nanoparticles adorned on carbon nano onions, Recommanded Product: (3-Chloro-5-cyanophenyl)boronic acid, the publication is Molecular Catalysis (2021), 111987, database is CAplus.

An efficient, straightforward and high yield synthetic approach is described for the direct synthesis of diaryl ketones via the C-H bond activation of aldehydes using Ni-Cu nanoparticles adorned on carbon nano onions as an efficient heterogeneous catalyst under the irradiation of a mercury-vapor lamp (400 w) via simple workup. This C-H bond activation reaction appears simple and convenient with a wide substrate scope in view of its excellent synthesis prowess as illustrated in the preparation of new-approved anti-Alzheimer and anti-HIV medicinal compounds under greener and mild reaction conditions; catalyst could be recycled and reused five times without any loss of catalytic activity.

Molecular Catalysis published new progress about 915763-60-9. 915763-60-9 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Nitrile,Boronic acid and ester,Benzene,Boronic Acids,Boronic acid and ester, name is (3-Chloro-5-cyanophenyl)boronic acid, and the molecular formula is C7H5BClNO2, Recommanded Product: (3-Chloro-5-cyanophenyl)boronic acid.

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

Zhang, Puwen published the artcile7-Aryl 1,5-dihydro-benzo[e][1,4]oxazepin-2-ones and analogs as non-steroidal progesterone receptor antagonists, Related Products of chlorides-buliding-blocks, the publication is Bioorganic & Medicinal Chemistry (2008), 16(13), 6589-6600, database is CAplus and MEDLINE.

Novel 7-aryl benzo[1,4]oxazepin-2-ones were synthesized and evaluated as non-steroidal progesterone receptor (PR) modulators. The structure activity relationship of 7-aryl benzo[1,4]oxazepinones was examined using the T47D cell alk. phosphatase assay. A number of 7-aryl benzo[1,4]oxazepinones such as 10j and 10v demonstrated good in vitro potency (IC₅₀ of 10-30 nM) and selectivity (over 100-fold) at PR over other steroidal receptors such as glucocorticoid and androgen receptors (GR and AR). Several 7-aryl benzo[1,4]oxazepinones were active in the rat uterine decidualization model. In this in vivo model, compounds 10j (I) and 10u (II) were active at 3 mg/kg when dosed orally.

Bioorganic & Medicinal Chemistry published new progress about 915763-60-9. 915763-60-9 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Nitrile,Boronic acid and ester,Benzene,Boronic Acids,Boronic acid and ester, name is (3-Chloro-5-cyanophenyl)boronic acid, and the molecular formula is C20H18BrN3, Related Products of chlorides-buliding-blocks.

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