2-hydroxy-4-cholesten-3-one | 64599-57-1

• 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: 2-hydroxy-4-cholesten-3-one
• 英文别名: 2-Hydroxycholest-4-en-3-one；(8S,9S,10R,13R,14S,17R)-2-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
• CAS: 64599-57-1
• 化学式: C₂₇H₄₄O₂
• 分子量: 400.645
• InChiKey: NFZDPXCPUNTQJE-VRBLRQQGSA-N

物化性质

• 沸点：
  515.4±39.0 °C(Predicted)
• 密度：
  1.03±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-胆甾烯-3-酮 在 二甲基二环氧乙烷 、 lithium diisopropyl amide 作用下， 生成 2-hydroxy-4-cholesten-3-one
  参考文献：
  名称：

  用二甲基二环氧乙烷进行烯醇氧化可轻松合成α-羟基羰基化合物

  摘要：

  用二甲基二环氧乙烷（在丙酮中的溶液）直接氧化烯醇化物可提供优异产率的α-羟基衍生物。

  DOI：

  10.1016/s0040-4039(00)74865-9

文献信息

• [EN] COMPETITIVE IMMUNOASSAY METHODS<br/>[FR] PROCÉDÉS DE DOSAGE IMMUNOLOGIQUE PAR COMPÉTITION
  申请人：NESTEC SA

  公开号：WO2018011691A1

  公开（公告）日：2018-01-18

  The invention provides assay methods and kits for detecting, measuring or quantitating the level of 7α-hydroxy-4-cholesten-3-one (7C4) in a biological sample from a subject, such as a human subject. In some embodiments, the human subject has a condition associated with bile acid malabsorption or diarrhea of unknown origin. The invention also provides isolated antibodies or antibody fragment thereof that specifically binds to 7α- hydroxy-4-cholesten-3-one (7C4) and have less than 1% cross-reactivity to one or more members selected from the group consisting of 7-ketocholesterol, 7α-hydroxycholesterol, and trihydroxycholestanoic acid.

  本发明提供了检测、测量或定量生物样本中7α-羟基-4-胆甾烯-3-酮（7C4）水平的测定方法和试剂盒，所述生物样本来自于受试者，例如人类受试者。在某些实施方式中，人类受试者患有与胆酸吸收不良或不明原因腹泻相关的疾病。本发明还提供了特异性结合于7α-羟基-4-胆甾烯-3-酮（7C4）并且与7-酮胆固醇、7α-羟基胆固醇和三羟基胆甾酸中的一个或多个成员的交叉反应小于1％的分离抗体或抗体片段。
• Use of derivatives of cholest-4-en-3-one as medicaments, pharmaceutical compositions containing same, novel derivatives and preparation method thereof
  申请人：Bordet Thierry

  公开号：US20060217358A1

  公开（公告）日：2006-09-28

  Compound of formula I where X=O or ═N—OH group, R represents a group chosen from A=hydrogen or together with B a carbon-carbon bond, B=hydrogen, hydroxy or together with A a carbon-carbon bond, C, D, E, F=hydrogen or together with D a carbon-carbon bond, or the one of its addition salts with pharmaceutically acceptable acids, with the exception of a few compounds, as a medicament, use in particular as neuroprotectors, novel compounds of formula I and pharmaceutical compositions.

  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。
• 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 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。
• [EN] BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF BARRETT'S ESOPHAGUS AND GASTROESOPHAGEAL REFLUX DISEASE<br/>[FR] INHIBITEURS DE RECYCLAGE D'ACIDE BILIAIRE POUR LE TRAITEMENT DE L'ŒSOPHAGE DE BARRETT ET DU REFLUX GASTROŒSOPHAGIEN PATHOLOGIQUE
  申请人：LUMENA PHARMACEUTICALS INC

  公开号：WO2014144485A9

  公开（公告）日：2015-01-15