3-methyl-3-(1H-1,2,4-triazol-1-yl)butan-2-one | 1803587-69-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-methyl-3-(1H-1,2,4-triazol-1-yl)butan-2-one
• 英文别名: 3-methyl-3-(1,2,4-triazol-1-yl)butan-2-one
• CAS: 1803587-69-0
• 化学式: C₇H₁₁N₃O
• mdl: MFCD28139465
• 分子量: 153.18
• InChiKey: HYIOOBSVQLUCSH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.571
• 拓扑面积：
  47.8
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS
  申请人：Bristol-Myers Squibb Company

  公开号：EP3092229B1

  公开（公告）日：2018-03-28
• US7645771B2
  申请人：——

  公开号：US7645771B2

  公开（公告）日：2010-01-12
• [EN] PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS<br/>[FR] DÉRIVÉS DE PYRROLIDINYLE SULFONE ET LEUR UTILISATION EN TANT QUE MODULATEURS DE ROR GAMMA
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2015103509A1

  公开（公告）日：2015-07-09

  Described are RORγ modulators of the formula (I), or stereoisomers, tautomers, pharmaceutically acceptable salts, solvates, or prodrugs thereof, wherein all substituents are defined herein. Also provided are pharmaceutical compositions comprising the same. Such compounds and compositions are useful in methods for modulating RORγ activity in a cell and methods for treating a subject suffering from a disease or disorder in which the subject would therapeutically benefit from modulation of RORγ activity, for example, autoimmune and/or inflammatory disorders.