3-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butanoic acid | 511-18-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 3-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butanoic acid
• CAS: 511-18-2；60427-02-3；70223-68-6
• 化学式: C₂₃H₃₈O₂
• 分子量: 346.554
• InChiKey: UNDDRXNWYMVMIX-UHFFFAOYSA-N

物化性质

• 熔点：
  177°
• 沸点：
  421.26°C (rough estimate)
• 密度：
  1.0136 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• USE OF A STEROID FOR ENHANCEMENT OF SKIN PERMEABILITY
  申请人：Novartis AG

  公开号：EP1773336A1

  公开（公告）日：2007-04-18
• Compounds exhibiting efflux inhibitor activity and composition and uses thereof
  申请人：Wempe Fitzpatrick Michael

  公开号：US20070254859A1

  公开（公告）日：2007-11-01

  At least one compound chosen from compounds of Formula I: a pharmaceutically acceptable salt or ester thereof, a solvate thereof, a chelate thereof, a non-covalent complex thereof, a prodrug thereof, and mixtures of any of the foregoing, wherein: n is a number from 1 to 900, wherein the individual units may be the same or different; W is chosen from alkyl, substituted alkyl, cycloalkyl, substituted cycloalkyl, aryl, substituted aryl, aralkyl and substituted aralkyl; each of R 2 , R 3 , R 4 and R 5 is independently chosen from —H, alkyl, substituted alkyl, cycloalkyl, substituted cycloalkyl, aryl, substituted aryl, aralkyl and substituted aralkyl; Z′ is chosen from —O—, —N—, —NO—, —NR 4 —, —S—, —SO— and —SO 2 —, wherein R 4 is defined as above; each of X, X′, Y and Z is independently chosen from —CR 4 R 5 —, —NH—, —NR 4 —, —NO—, —O—, —NOR 4 —, —S—, —SO—, —SO 2 —, wherein R 4 and R 5 are defined as above; R 1 is chosen from a tocopherol, a steroid and a flavonoid; and R 6 is chosen from any R 1 , alkyl, substituted alkyl, cycloalkyl, substituted cycloalkyl, aryl, substituted aryl, aralkyl and substituted aralkyl.
• Use Of A Steroid For Enhancement Of Skin Permeability
  申请人：Meingassner Josef Gottfried

  公开号：US20080171729A1

  公开（公告）日：2008-07-17

  A method for enhancing skin permeability by administration of a tetracyclic compound and improved methods for treatment of disorders by administration of a tetracyclic compound and a pharmaceutically active compound.
• US4171352A
  申请人：——

  公开号：US4171352A

  公开（公告）日：1979-10-16
• US7147859B2
  申请人：——

  公开号：US7147859B2

  公开（公告）日：2006-12-12