17α-acetoxy-3α-hydroxy-5β-pregnan-20-one | 64625-43-0

• 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: 17α-acetoxy-3α-hydroxy-5β-pregnan-20-one
• 英文别名: 5β-pregnan-3α,17α-diol-20-one 17-acetate；[(3R,5R,8R,9S,10S,13S,14S,17R)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate
• CAS: 64625-43-0
• 化学式: C₂₃H₃₆O₄
• 分子量: 376.536
• InChiKey: RRIGGXWWSAHMHN-NZXYYOKSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 17α-acetoxy-3α-hydroxy-5β-pregnan-20-one 以 吡啶 为溶剂， 生成 5β-pregnan-3α,17α-diol-20-one diacetate
  参考文献：
  名称：

  Templeton, John F.; Kumar, V. P. Sashi; Kim, Ryungsoon S., Journal of the Chemical Society. Perkin transactions I, 1987, p. 1361 - 1368

  摘要：

  DOI：
• 作为产物：
  描述：

  醋羟孕酮 在 Lindlar's catalyst lithium tri(t-butoxy)aluminum hydride 、 氢气 作用下， 以 吡啶 、 乙醚 为溶剂， 反应 24.0h， 生成 17α-acetoxy-3α-hydroxy-5β-pregnan-20-one
  参考文献：
  名称：

  Templeton, John F.; Kumar, V. P. Sashi; Kim, Ryungsoon S., Journal of the Chemical Society. Perkin transactions I, 1987, p. 1361 - 1368

  摘要：

  DOI：

文献信息

• Kombination aus einem Gestagen und einem Insulinsensitizer zur Behandlung von PCOS
  申请人：Richter Gedeon NYRT

  公开号：EP2749278A1

  公开（公告）日：2014-07-02

  Die vorliegende Erfindung betrifft ein Arzneimittel, das als Wirkstoffkombination wenigstens ein kontrazeptiv wirkendes Gestagen als einzige Hormonkomponente und wenigstens einen Insulinsensitizer enthält, das sich insbesondere zur Prophylaxe gegen oder zur Therapierung von krankhaften Störungen, die durch das Polyzystische Ovar-Syndrom (PCOS) verursacht werden, eignet.

  本发明涉及一种药物，它含有至少一种具有避孕活性的孕激素作为唯一的激素成分和至少一种胰岛素增敏剂作为活性成分的组合，特别适用于预防或治疗多囊卵巢综合征（PCOS）引起的病理紊乱。
• KONTRAZEPTIVUM
  申请人：Grünenthal GmbH

  公开号：EP1978970B1

  公开（公告）日：2011-03-09
• Medicament Comprising A Hormone Combination
  申请人：Schramm Georg

  公开号：US20080312200A1

  公开（公告）日：2008-12-18

  The present invention relates to the use of a hormone combination of ethinyl oestradiol or oestradiol as oestrogen component and at least one metabolite of chlormadinone acetate selected from the group consisting of 3α-hydroxy-6-chloro-17α-acetoxy-4,6-pregnadien-20-one (3α-hydroxychlormadinone acetate), 3β-hydroxy-6-chloro-17α-acetoxy-4,6-pregnadien-20-one (3β-hydroxychlormadinone acetate), 3α-hydroxy-17α-acetoxy-5β-pregnan-20-one and 3β-hydroxy-17α-acetoxy-5β-pregnan-20-one, optionally mixed with chlormadinone acetate as gestagen component for producing a medicament at least for alleviating menstrual cycle-dependent mood swings and optionally for hormonal contraception in women.
• Contraceptive
  申请人：Schramm Georg

  公开号：US20090023694A1

  公开（公告）日：2009-01-22

  The present invention relates to an administration form for hormonal contraception consisting of a particular number of hormone-containing daily units, comprising a hormone combination consisting of at least one oestrogen selected from the group comprising ethinyl oestradiol (I) and oestradiol (II) as the oestrogen component, and at least one metabolite of chlormadinone acetate selected from the group comprising 3α-hydroxy-6-chloro-17α-acetoxy-4,6-pregnadien-20-one (3α-hydroxy-chlormadinone acetate), 3β-hydroxy-6-chloro-17α-acetoxy-4,6-pregnadien-2-one (3β-hydroxy-chlormadinone acetate), optionally mixed with chlormadinone acetate and/or 3α-hydroxy-17α-acetoxy-5β-pregnan-20-one and/or 3β-hydroxy-17α-acetoxy-5β-pregnan-20-one as the gestagen component for the uninterrupted, daily, oral administration of the hormone-containing daily units, optionally in combination with 7 to 3 hormone-free daily units.
• MEDICAMENT
  申请人：SCHRAMM GEORG

  公开号：US20090118245A1

  公开（公告）日：2009-05-07

  The present invention relates to a medicament which contains as the active ingredient combination at least one gestagen with a contraceptive action as the sole hormone component and at least one insulin sensitiser, which medicament is in particular suitable for preventing or treating pathological disorders which are caused by polycystic ovary syndrome (PCOS).