methyl 5-[3-[(1S,2S,3R,5R)-5-cyano-2-[(3,5-dichlorophenoxy)methyl]-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate | 1042024-49-6

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: methyl 5-[3-[(1S,2S,3R,5R)-5-cyano-2-[(3,5-dichlorophenoxy)methyl]-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate
• CAS: 1042024-49-6
• 化学式: C₂₇H₃₁Cl₂NO₅S
• 分子量: 552.519
• InChiKey: HNGNBTTWGFONCJ-XAQCSCGWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  36
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  106
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• THERAPEUTIC COMPOUNDS
  申请人：Old David W.

  公开号：US20090270386A1

  公开（公告）日：2009-10-29

  Compounds comprising or a pharmaceutically acceptable salt or a prodrug thereof, are disclosed, wherein G, B, D, and Y are as described. Methods, compositions, and medicaments related thereto are also disclosed.

  本发明涉及包含G、B、D和Y的化合物或其药用可接受的盐或前药，同时还公开了相关的方法、组合物和药物。
• THIOPHENE DERIVATIVES USEFUL AS OCULAR HYPOTENSIVE AGENTS
  申请人：Allergan, Inc.

  公开号：EP2288598B1

  公开（公告）日：2012-03-21
• US7803798B2
  申请人：——

  公开号：US7803798B2

  公开（公告）日：2010-09-28
• [EN] THIOPHENE DERIVATIVES USEFUL AS OCULAR HYPOTENSIVE AGENTS<br/>[FR] DÉRIVÉS DU THIOPHÈNE UTILES EN TANT QU'AGENTS HYPOTENSIFS OCULAIRES
  申请人：ALLERGAN INC

  公开号：WO2009132087A1

  公开（公告）日：2009-10-29

  Compounds comprising (formula I), or a pharmaceutically acceptable salt or a prodrug thereof, are disclosed, wherein G, B, D, and Y are as described. Methods, compositions, and medicaments related thereto are also disclosed.
• [EN] SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS<br/>[FR] ARYLCYCLOPENTÈNES SUBSTITUÉS EN TANT QU'AGENTS THÉRAPEUTIQUES
  申请人：ALLERGAN INC

  公开号：WO2009132093A2

  公开（公告）日：2009-10-29

  Compounds comprising formula (I) or a pharmaceutically acceptable salt thereof, are disclosed, wherein G, B, Y, and A are as described, in claims 1-13 Methods, compositions, and medicaments related thereto are also disclosed, for treating glaucoma, inflamatory bowel disease and baldness.