2-[2-[4-(2-Adamantylcarbamoyl)-5-(cyclohexylmethoxy)pyrazol-1-yl]ethylamino]benzoic acid | 937744-54-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并吡啶类
• 英文名称: 2-[2-[4-(2-Adamantylcarbamoyl)-5-(cyclohexylmethoxy)pyrazol-1-yl]ethylamino]benzoic acid
• CAS: 937744-54-2
• 化学式: C₃₀H₄₀N₄O₄
• 分子量: 520.672
• InChiKey: QDUWUTNFKAQVKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  38
• 可旋转键数：
  10
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  106
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• HETEROCYCLIC COMPOUNDS HAVING TYPE I 11beta HYDROXYSTEROID DEHYDROGENASE INHIBITORY ACTIVITY
  申请人：Kurose Noriyuki

  公开号：US20090170832A1

  公开（公告）日：2009-07-02

  Disclosed is a compound useful as a type I 11βhydroxysteroid dehydrogenase inhibitor. A compound represented by the formula: a pharmaceutically acceptable salt or solvate thereof, wherein R 1 is optionally substituted alkyl or the like, one of R 2 and R 4 is a group of formula: —Y—R 5 , wherein Y is —O— or the like, R 5 is substituted alkyl (the substituent is optionally substituted cycloalkyl or the like), optionally substituted branched alkyl or the like, the other of R 2 and R 4 is hydrogen or optionally substituted alkyl, R 3 is a group of formula: —C(═O)-Z-R 6 , wherein Z is —NR 7 — or —NR 7 —W—, R 6 is optionally substituted cycloalkyl or the like, R 7 is hydrogen or optionally substituted alkyl, W is optionally substituted alkylene, X is ═N— or the like, with the proviso that compounds wherein R 2 is 2-(morphorino)ethoxy, R 3 is N-(1-adamantyl)carbamoyl and R 1 is benzyl are excluded.
• US8324265B2
  申请人：——

  公开号：US8324265B2

  公开（公告）日：2012-12-04