4-((3R,5R,8R,9S,10S,13R,14S,15R,17R)-3-Hydroxy-10,13-dimethyl-hexadecahydro-20-oxa-cyclopropa[14,15]cyclopenta[a]phenanthren-17-yl)-5H-furan-2-one | 27335-15-5

• 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: 4-((3R,5R,8R,9S,10S,13R,14S,15R,17R)-3-Hydroxy-10,13-dimethyl-hexadecahydro-20-oxa-cyclopropa[14,15]cyclopenta[a]phenanthren-17-yl)-5H-furan-2-one
• 英文别名: 3-[(1R,2S,4R,6R,7R,10S,11S,14R,16R)-14-hydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]-2H-furan-5-one
• CAS: 27335-15-5
• 化学式: C₂₃H₃₂O₄
• 分子量: 372.505
• InChiKey: QONQRTHLHBTMGP-SNRFDKOUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  27
• 可旋转键数：
  1
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  59.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-((3R,5R,8R,9S,10S,13R,14S,15R,17R)-3-Hydroxy-10,13-dimethyl-hexadecahydro-20-oxa-cyclopropa[14,15]cyclopenta[a]phenanthren-17-yl)-5H-furan-2-one 在 吡啶 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 Thioacetic acid S-[(3S,5R,8R,9S,10S,13R,14S,15R,17R)-10,13-dimethyl-17-(5-oxo-2,5-dihydro-furan-3-yl)-hexadecahydro-20-oxa-cyclopropa[14,15]cyclopenta[a]phenanthren-3-yl] ester
  参考文献：
  名称：

  Digitalis-like compounds: Synthesis and biological evaluation of 3β-(aminoalkylthio) derivatives

  摘要：

  The synthesis and the binding affinities to the digitalis receptor on the Na+,K+-ATPase of a series of 3 beta-(aminoalkylthio) digitalis derivatives are described. In most cases these derivatives showed a higher binding affinity than that of the corresponding 3 beta-hydroxy and 3 beta-mercapto parent compounds. (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00039-5
• 作为产物：
  描述：

  (5R,8R,9S,10S,13R,14S,15R,17R)-10,13-Dimethyl-17-(5-oxo-2,5-dihydro-furan-3-yl)-tetradecahydro-20-oxa-cyclopropa[14,15]cyclopenta[a]phenanthren-3-one 在 sodium tetrahydroborate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成 4-((3R,5R,8R,9S,10S,13R,14S,15R,17R)-3-Hydroxy-10,13-dimethyl-hexadecahydro-20-oxa-cyclopropa[14,15]cyclopenta[a]phenanthren-17-yl)-5H-furan-2-one
  参考文献：
  名称：

  Digitalis-like compounds: Synthesis and biological evaluation of 3β-(aminoalkylthio) derivatives

  摘要：

  The synthesis and the binding affinities to the digitalis receptor on the Na+,K+-ATPase of a series of 3 beta-(aminoalkylthio) digitalis derivatives are described. In most cases these derivatives showed a higher binding affinity than that of the corresponding 3 beta-hydroxy and 3 beta-mercapto parent compounds. (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00039-5

文献信息

• 17-(3-Furyl) and 17-(4-pyridazinyl)-5beta,14beta-androstane derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same
  申请人：Sigma-Tau Industrie Farmaceutiche Riunite S.p.A.

  公开号：EP0583578A2

  公开（公告）日：1994-02-23

  17-(3-Furyl) and (4-pyridazinyl)-5β,14β-androstane derivatives of formula (I) wherein the symbol the symbol --- , Y, R, R1, R2 and R3 have the meaning indicated in the specification. Processes of making the said compounds and pharmaceutical compositions containing them are also disclosed.

  式 (I) 的 17-(3-呋喃基)和(4-哒嗪基)-5β,14β-雄甾烷衍生物 其中符号----、Y、R、R1、R2 和 R3 的含义见说明书。还公开了制造上述化合物和含有它们的药物组合物的工艺。
• 17B-(3-Furyl) and 17B-(4-pyridazinyl)-5beta,14beta-androstane derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same
  申请人：Sigma-Tau Industrie Farmaceutiche Riunite S.p.A.

  公开号：EP0583578B1

  公开（公告）日：1997-04-23
• US5567697A
  申请人：——

  公开号：US5567697A

  公开（公告）日：1996-10-22