ethyl 1-[(E)-4-fluoro-3,3-dimethylbut-1-enyl]-5-(2-methylpropoxy)pyrazole-4-carboxylate | 937746-61-7

• 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)-4-fluoro-3,3-dimethylbut-1-enyl]-5-(2-methylpropoxy)pyrazole-4-carboxylate
• CAS: 937746-61-7
• 化学式: C₁₆H₂₅FN₂O₃
• 分子量: 312.385
• InChiKey: VEEBLXMRLMZCGA-BQYQJAHWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  22
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  53.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  ethyl 1-[(E)-4-hydroxy-3,3-dimethylbut-1-enyl]-5-(2-methylpropoxy)pyrazole-4-carboxylate 在 二乙胺基三氟化硫 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 ethyl 1-[(E)-4-fluoro-3,3-dimethylbut-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.
• NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE HAVING 11SS-HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORY ACTIVITY
  申请人：Masuda Koji

  公开号：US20100240659A1

  公开（公告）日：2010-09-23

  Disclosed is a compound which is useful as an 11β-hydroxysteroid dehydrogenase type 1 inhibitor. A compound represented by the formula: , its pharmaceutically acceptable salt, or a solvate thereof, wherein Ring A is a group represented by the formula: Ring B is optionally substituted heteroaryl, provided that optionally substituted isoxazole is excluded, or optionally substituted heterocycle, R 1 is hydrogen or optionally substituted alkyl, R 2 is —OR 5 , —SR 5 , halogen, halogenated alkyl or the like, R 3 is optionally substituted alkyl or the like, R 4 is optionally substituted alkyl or the like, R 5 is optionally substituted alkyl or the like, R 6 is hydrogen or the like, R 7 and R 8 are each independently hydrogen or the like, R 10 and R 11 are each independently hydrogen or the like, R 12 is optionally substituted alkyl or the like, m and p are each independently integer of 1 to 3.
• US8324265B2
  申请人：——

  公开号：US8324265B2

  公开（公告）日：2012-12-04
• US8383622B2
  申请人：——

  公开号：US8383622B2

  公开（公告）日：2013-02-26