(20R)-22E-cholesta-4,22-dien-3-one | 55688-43-2

• 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: (20R)-22E-cholesta-4,22-dien-3-one
• 英文别名: (22E)-cholest-4,22-dien-3-one；(22E)-cholesta-4,22-dien-3-one；cholesta-4,22t-dien-3-one；Cholesta-4,22t-dien-3-on；4,22-cholestadien-3-one；(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
• CAS: 55688-43-2
• 化学式: C₂₇H₄₂O
• 分子量: 382.63
• InChiKey: NADSFPYUTGUROD-UAJHHUEASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (20R)-22E-cholesta-4,22-dien-3-one 在 吡啶 、 盐酸羟胺 作用下， 反应 24.0h， 以50%的产率得到4,22-cholestadien-3-one oxime
  参考文献：
  名称：

  Use of derivatives of cholest-4-en-3-one as medicaments, pharmaceutical compositions containing same, novel derivatives and preparation method thereof

  摘要：

  化合物I的化学式如下，其中X可以是O或═N—OH基团，R代表从以下组中选择的一种：A=氢或与B一起形成碳-碳键，B=氢、羟基或与A一起形成碳-碳键，C、D、E、F=氢或与D一起形成碳-碳键，或其与药学上可接受的酸的一种或多种加成盐，除了少数化合物外，作为药物，特别是作为神经保护剂，化合物I的新型化合物和制药组合物。

  公开号：

  US20060217358A1
• 作为产物：
  描述：

  (3B,22E)-胆甾-5,22-二烯-3-醇 、 环己酮 在 aluminum isopropoxide 、 甲苯 作用下， 生成 (20R)-22E-cholesta-4,22-dien-3-one
  参考文献：
  名称：

  Tsuda et al., Chemical and pharmaceutical bulletin, 1959, vol. 7, p. 747

  摘要：

  DOI：

文献信息

• USE AS MEDICAMENTS OF DERIVATIVES OF CHOLEST-4-EN-3-ONE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, NOVEL DERIVATIVES AND THEIR PREPARATION PROCESS
  申请人：BORDET Thierry

  公开号：US20100216752A1

  公开（公告）日：2010-08-26

  A method for providing neuroprotection to a patient in need of neuroprotection, comprising administering a neuroprotective-effective amount of a compound of formula I in which X is an oxygen atom or an ═N—OH group, R is selected from the group consisting of A is a hydrogen atom or together with B a carbon-carbon bond, B is a hydrogen atom, a hydroxy group or together with A a carbon-carbon bond, C is a hydrogen atom or together with D a carbon-carbon bond, D is a hydrogen atom or together with C a carbon-carbon bond, E is a hydrogen atom or together with F a carbon-carbon bond, F is a hydrogen atom or together with E a carbon-carbon bond, or an addition salt with a pharmaceutically acceptable acid.

  一种用于向需要神经保护的患者提供神经保护的方法，包括给予化合物I的神经保护有效量，其中X是氧原子或═N—OH基团，R选自以下组合：A是氢原子，或者与B一起形成碳-碳键，B是氢原子、羟基或者与A一起形成碳-碳键，C是氢原子，或者与D一起形成碳-碳键，D是氢原子，或者与C一起形成碳-碳键，E是氢原子，或者与F一起形成碳-碳键，F是氢原子，或者与E一起形成碳-碳键，或者与药学上可接受的酸形成加成盐。
• METHOD FOR PROVIDING NEUROPROTECTION
  申请人：Bordet Thierry

  公开号：US20120309721A1

  公开（公告）日：2012-12-06

  A method for providing neuroprotection to a patient in need of neuroprotection, comprising administering a neuroprotective-effective amount of a compound of formula I in which X is an oxygen atom or an =N—OH group, R is selected from the group consisting of A is a hydrogen atom or together with B a carbon-carbon bond, B is a hydrogen atom, a hydroxy group or together with A a carbon-carbon bond, C is a hydrogen atom or together with D a carbon-carbon bond, D is a hydrogen atom or together with C a carbon-carbon bond, E is a hydrogen atom or together with F a carbon-carbon bond, F is a hydrogen atom or together with E a carbon-carbon bond, or an addition salt with a pharmaceutically acceptable acid.

  一种为需要神经保护的患者提供神经保护的方法，包括给予化合物I的神经保护有效剂量，其中X是氧原子或=N-OH基团，R从以下组中选择：A是氢原子或与B一起形成碳-碳键，B是氢原子、羟基或与A一起形成碳-碳键，C是氢原子或与D一起形成碳-碳键，D是氢原子或与C一起形成碳-碳键，E是氢原子或与F一起形成碳-碳键，F是氢原子或与E一起形成碳-碳键，或与药学上可接受的酸形成加成盐。
• METHOD FOR PROVIDING NEUROPROTECTION FROM SPINAL MUSCULAR ATROPHY
  申请人：BORDET Thierry

  公开号：US20120316141A1

  公开（公告）日：2012-12-13

  A method for providing neuroprotection to a patient in need of neuroprotection, comprising administering a neuroprotective-effective amount of a compound of formula I in which X is an oxygen atom or an ═N—OH group, R is selected from the group consisting of A is a hydrogen atom or together with B a carbon-carbon bond, B is a hydrogen atom, a hydroxy group or together with A a carbon-carbon bond, C is a hydrogen atom or together with D a carbon-carbon bond, D is a hydrogen atom or together with C a carbon-carbon bond, E is a hydrogen atom or together with F a carbon-carbon bond, F is a hydrogen atom or together with E a carbon-carbon bond, or an addition salt with a pharmaceutically acceptable acid.

  一种为需要神经保护的患者提供神经保护的方法，包括给予化学式I中X为氧原子或═N—OH基团，R选自以下组合的神经保护有效量的化合物：A为氢原子或与B一起形成碳-碳键，B为氢原子、羟基或与A一起形成碳-碳键，C为氢原子或与D一起形成碳-碳键，D为氢原子或与C一起形成碳-碳键，E为氢原子或与F一起形成碳-碳键，F为氢原子或与E一起形成碳-碳键，或与药用可接受酸形成加合物的盐。
• A process for producing steroidal alcohols
  申请人：MITSUBISHI KASEI CORPORATION

  公开号：EP0001622B1

  公开（公告）日：1981-10-14
• 9-Alpha-hydroxy-3-oxopregna-4,17(20)-diene-20-carboxylic acid and its methyl ester and methods for the microbiological production thereof
  申请人：MITSUBISHI KASEI CORPORATION

  公开号：EP0011235B1

  公开（公告）日：1982-06-23