ethyl 1-[(E)-3-cyano-3-methylbut-1-enyl]-5-(2-methylpropoxy)pyrazole-4-carboxylate | 937746-55-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl 1-[(E)-3-cyano-3-methylbut-1-enyl]-5-(2-methylpropoxy)pyrazole-4-carboxylate
• CAS: 937746-55-9
• 化学式: C₁₆H₂₃N₃O₃
• 分子量: 305.377
• InChiKey: XGQJQFFGDFUFAM-BQYQJAHWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  22
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  77.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  C₁₆H₂₅N₃O₄ 在 吡啶 、 三氟乙酸 作用下， 反应 0.75h， 生成 ethyl 1-[(E)-3-cyano-3-methylbut-1-enyl]-5-(2-methylpropoxy)pyrazole-4-carboxylate
  参考文献：
  名称：

  HETEROCYCLIC COMPOUND HAVING INHIBITORY ACTIVITY ON 11-B-HYDROXYSTEROID DEHYDROGENASE TYPE I

  摘要：

  公开号：

  EP1953145B1

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