cholenic acid | 901788-98-5

• 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: cholenic acid
• 英文别名: 2-Cholenoic acid；(4R)-4-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
• CAS: 901788-98-5
• 化学式: C₂₄H₃₈O₂
• 分子量: 358.565
• InChiKey: FZSKILMPRKPLJG-KBMWBBLPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• [EN] NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF<br/>[FR] STÉROÏDES NEUROACTIFS, COMPOSITIONS ET LEURS UTILISATIONS
  申请人：SAGE THERAPEUTICS INC

  公开号：WO2013036835A1

  公开（公告）日：2013-03-14

  Compounds are provided according to Formula (I) and pharmaceutically acceptable salts thereof, wherein Z is a group of the formula (i), (ii), (iii), (iv), or (v), and wherein L1, L2, L3, X1, X2, Y, Rz4, Rz5, Rz6, n, R1, R2, R3a, R3b, R4a, R4b, R6a, R6b, R7a, R7b, R11a, R11b, R14, R17, R19, R20, R23a, R23b, and R24 are as defined herein, and pharmaceutical compositions thereof. Compounds of the present invention are contemplated useful for the prevention and treatment of a variety of CNS-related conditions in mammals.

  根据公式（I）提供化合物及其药学上可接受的盐，其中Z是公式（i）、（ii）、（iii）、（iv）或（v）的基团，L1、L2、L3、X1、X2、Y、Rz4、Rz5、Rz6、n、R1、R2、R3a、R3b、R4a、R4b、R6a、R6b、R7a、R7b、R11a、R11b、R14、R17、R19、R20、R23a、R23b和R24如本文所定义，并且其药物组合物。本发明的化合物被认为对哺乳动物的多种与中枢神经系统相关的疾病的预防和治疗有用。
• NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF
  申请人：SAGE THERAPEUTICS, INC.

  公开号：US20160022701A1

  公开（公告）日：2016-01-28

  Provided are methods of evaluating or treating a patient, e.g., a patient having a disorder described herein, comprising: a) optionally, acquiring a patient sample; b) acquiring an evaluation of and/or evaluating the sample for an alteration in the level S24(S)-hydroxycholesterol compared to a reference standard.

  提供了评估或治疗患者的方法，例如，患有本文所述疾病的患者，包括：a) 可选地，获取患者样本；b) 获取对样本的评估和/或评估其S24(S)-羟基胆固醇水平与参考标准相比是否发生改变。
• Meiosis regulating compounds
  申请人：——

  公开号：US20010003782A1

  公开（公告）日：2001-06-14

  Certain novel sterol derivatives can be used for regulating the meiosis in oocytes and in male germ cells.

  某些新型甾醇衍生物可以用于调节卵母细胞和雄性生殖细胞的减数分裂。
• Antineoplastic and anti-HIV conjugates of steroid acid and nucleosides
  申请人：Lee J. Henry

  公开号：US20050267051A1

  公开（公告）日：2005-12-01

  A conjugate comprising a nucleoside ester of a steroid acid, said steroid acid having a cyclopentanophenanthrene carbon-carbon skeleton or a homolog thereof and containing up to a maximum of 40 carbon atoms and having at least one carboxylic group covalently bonded thereto, said ester exhibiting at least one activity selected from the group consisting of, (1) antiproliferative or antineoplastic activity induced by apoptosis as measured by activity against H9 cells, or (2) anti-HIV activity as measured by activity against T4 lymphocytes or a pharmaceutically acceptable salt, ester, derivative, metal complex, conjugate or prodrug thereof.

  一种共轭物，包括一种核苷酸酯化类固醇酸，该类固醇酸具有环戊烷苯并芘碳-碳骨架或其同系物，含有最多40个碳原子，并且至少有一个羧基与其共价键结合，该酯表现出以下至少一种活性，所述活性被选择自以下一组：（1）通过诱导凋亡测量对H9细胞的抗增殖或抗肿瘤活性，或（2）通过对T4淋巴细胞的活性测量对抗HIV活性，或其药学上可接受的盐，酯，衍生物，金属配合物，共轭物或前药。
• [EN] PROCESS FOR PREPARING 1A-HYDROXYLATED COMPOUNDS
  申请人：——

  公开号：WO1979000513A1

  公开（公告）日：1979-08-09

  (EN) The principal object of the invention is to provide a method for directly introducing an oxygen function at carbon 1 of the vitamin D molecule or precursors or derivatives thereof which comprises subjecting such molecule to allylic oxidation utilizing selenium dioxide as the oxidizing agent. It is recognized that 1(Alpha)-hydroxylation is essential to impart biological activity to vitamin D compounds and their derivatives and the present invention provides an efficient and direct method for accomplishing the desired 1(Alpha)-hydroxylation. (FR) La methode pour introduire une fonction oxygene ou carbone 1 de la molecule de la vitamine D ou de ses precurseurs ou de ses derives consiste a soumettre la molecule a une oxydation allylique en utilisant le dioxyde de selenium comme agent oxydant. Il est reconnu que l"hydroxylation en 1(Alpha) est essentielle pour donner l"activite biologique aux composes de la vitamine D et leurs derives et la methode pour l"hydroxylation en 1(Alpha) est directe et efficace.

  本发明的主要目的是提供一种方法，直接在维生素D分子或其前体或衍生物的碳1上引入氧功能，该方法包括利用亚砜二氧化物作为氧化剂对该分子进行烯丙基氧化。人们认识到，1(α)-羟基化对于赋予维生素D化合物及其衍生物生物活性是必要的，而本发明提供了一种高效且直接实现所需1(α)-羟基化的方法。