3,3-ethylenedioxy-5α,17β-dihydroxy-11β-[4-(thiomethoxy)phenyl]-19-nor-17α-pregn-9-ene-21-ethyne | 947394-74-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 3,3-ethylenedioxy-5α,17β-dihydroxy-11β-[4-(thiomethoxy)phenyl]-19-nor-17α-pregn-9-ene-21-ethyne
• 英文别名: (5'R,8'S,11'R,13'S,14'S,17'R)-17'-ethynyl-13'-methyl-11'-(4-methylsulfanylphenyl)spiro[1,3-dioxolane-2,3'-2,4,6,7,8,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-5',17'-diol
• CAS: 947394-74-3
• 化学式: C₂₉H₃₆O₄S
• 分子量: 480.668
• InChiKey: JHEGHWQZVNEBFG-IINHIXHCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  34
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  84.2
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3,3-ethylenedioxy-5α,17β-dihydroxy-11β-[4-(thiomethoxy)phenyl]-19-nor-17α-pregn-9-ene-21-ethyne 在 对甲苯磺酸 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 反应 16.5h， 生成 19-norpregna-4,9-dien-20-yne-21-phosphonic acid diethyl ester, 11-[4-(thiomethoxy)phenyl]-17-hydroxy-3-oxo-
  参考文献：
  名称：

  Novel phosphorus-containing 17β-side chain mifepristone analogues as progesterone receptor antagonists

  摘要：

  A novel series of steroidal compounds were designed and synthesized with various phosphorus-containing groups on the 17 beta-side chain as progesterone receptor antagonists. The structure -activity relationships of these compounds are discussed. Selected compounds were tested in an rat progesterone-sensitive assay. Some of these compounds are more potent than mifepristone, with a better selectivity profile in differentiating progesterone receptor from glucocorticoid receptor.(C) 2006 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.steroids.2006.07.003
• 作为产物：
  描述：

  (5alpha,10alpha)-5,10-环氧-雌甾-9(11)-烯-3,17-二酮环3-(1,2-乙二基缩醛) 在 copper(l) chloride 作用下， 以 四氢呋喃 为溶剂， 反应 17.0h， 生成 3,3-ethylenedioxy-5α,17β-dihydroxy-11β-[4-(thiomethoxy)phenyl]-19-nor-17α-pregn-9-ene-21-ethyne
  参考文献：
  名称：

  Novel phosphorus-containing 17β-side chain mifepristone analogues as progesterone receptor antagonists

  摘要：

  A novel series of steroidal compounds were designed and synthesized with various phosphorus-containing groups on the 17 beta-side chain as progesterone receptor antagonists. The structure -activity relationships of these compounds are discussed. Selected compounds were tested in an rat progesterone-sensitive assay. Some of these compounds are more potent than mifepristone, with a better selectivity profile in differentiating progesterone receptor from glucocorticoid receptor.(C) 2006 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.steroids.2006.07.003

文献信息

• 11-PHOSPHOROUS STEROID DERIVATIVES USEFUL AS PROGESTERONE RECEPTOR MODULATORS
  申请人：Fiordeliso J. James

  公开号：US20070232570A1

  公开（公告）日：2007-10-04

  The present invention is directed to novel 11-phosphorous steroid derivatives, pharmaceutical compositions containing them and their use in the treatment of disorders and conditions modulated by a progesterone or glucocorticoid receptor.

  本发明涉及新颖的11-磷酸类固醇衍生物，含有它们的药物组合物以及它们在治疗受孕激素或糖皮质激素受体调节的疾病和症状中的应用。
• 17-PHOSPHOROUS STEROID DERIVATIVES USEFUL AS PROGESTERONE RECEPTOR MODULATORS
  申请人：Jiang Weiqin

  公开号：US20070207982A1

  公开（公告）日：2007-09-06

  The present invention is directed to novel 17-phosphorous steroid derivatives, pharmaceutical compositions containing them and their use in the treatment of disorders and conditions modulated by a progesterone or glucocorticoid receptor.

  本发明涉及新颖的17-磷类固醇衍生物，含有它们的药物组合物以及它们在治疗受孕激素或糖皮质激素受体调节的疾病和症状中的用途。
• US7678781B2
  申请人：——

  公开号：US7678781B2

  公开（公告）日：2010-03-16
• US7671045B2
  申请人：——

  公开号：US7671045B2

  公开（公告）日：2010-03-02