3,5-Dioxo-cyclohexanecarboxylic acid methylamide | 27561-77-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,5-Dioxo-cyclohexanecarboxylic acid methylamide
• 英文别名: N-methyl-3,5-dioxocyclohexane-1-carboxamide
• CAS: 27561-77-9
• 化学式: C₈H₁₁NO₃
• 分子量: 169.18
• InChiKey: QHDSHHLOXVQDDW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  63.2
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• FURO-3-CARBOXAMIDE DERIVATIVES AND METHODS OF USE
  申请人：AbbVie Inc.

  公开号：EP3097095A1

  公开（公告）日：2016-11-30
• Targeted Covalent Probes and Inhibitors of Proteins Containing Redox-Sensitive Cysteines
  申请人：THE SCRIPPS RESEARCH INSTITUTE

  公开号：US20160195532A1

  公开（公告）日：2016-07-07

  Covalent, irreversible small-molecule inhibitors that modify the sulfenyl form (i.e., sulfenic acid, RSOH and sulfenamide, RSNR′2) of therapeutically important proteins (particularly kinases and phosphatases) are disclosed, where the compositions include a compound having a substituted aryl or heterocyclic core structure that promotes binding interactions with a specific protein, and a nucleophilic reaction center (carbon, nitrogen, sulfur, or phosphorous) that is capable of forming a covalent bond with a sulfenic acid- or sulfenamide-modified cysteine residue in the protein. Methods for synthesizing these compounds are also disclosed, as well as methods of using them for determining the bioactivity of a chemical composition comprising an active compound toward a specific protein and for determining the potency of an inhibitor against a specific protein.
• US9977024B2
  申请人：——

  公开号：US9977024B2

  公开（公告）日：2018-05-22
• [EN] FURO-3-CARBOXAMIDE DERIVATIVES AND METHODS OF USE<br/>[FR] DÉRIVÉS FURO-3-CARBOXAMIDE ET MÉTHODES D'UTILISATION
  申请人：ABBVIE INC

  公开号：WO2015112754A1

  公开（公告）日：2015-07-30

  Compounds of formula (I) and pharmaceutically acceptable salts, esters, amides, or radiolabelled forms thereof, wherein R1, Z1, Z2, and n are as defined in the specification, are useful in treating conditions or disorders prevented by or ameliorated by Tropomysin receptor kinases (Trk). Methods for making the compounds are disclosed. Also disclosed are pharmaceutical compositions of compounds of formula (I), and methods for using such compounds and compositions.