3-Hydroxychol-2-en-24-oic acid | 69941-28-2

• 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: 3-Hydroxychol-2-en-24-oic acid
• 英文别名: (4R)-4-[(8R,9S,10S,13R,14S,17R)-3-hydroxy-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: 69941-28-2
• 化学式: C₂₄H₃₈O₃
• 分子量: 374.6
• InChiKey: HULQGYPWEGNXPA-PBDHEXIJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  27
• 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：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

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。
• Pharmaceutically active compound
  申请人：Mills Oswald Charles

  公开号：US20050239712A1

  公开（公告）日：2005-10-27

  A liver-targeting active compound having the general formula (I): wherein A is α-OH or β-OH, B is α-H or β-H, C is —H, α-OH or β-OH, or B and C together form a double bond, D is —H, α-OH or β-OH, E is —H, α-OH or β-OH, -G- is a side chain moiety, —NH-J is selected from (i) a residue of an amino group-containing active compound wherein said —NH— group is provided by said amino group of the active compound, and (ii) a residue of an active compound to which an amino group has been added wherein said —NH— group is provided by said added amino group; each of X and Y independently represents a single bond, —(CH, 2 ) z — (where z is 1 to 8), —O— or —S—; n is 0 or 1; m is 0 or 1; and p is 0 or 1; provided that, when —NH-J is (i), m is 1. A method of producing such a compound is also disclosed.

  一种具有通式（I）的以肝脏为靶点的活性化合物：其中A为α-OH或β-OH，B为α-H或β-H，C为-H、α-OH或β-OH，或B和C一起形成双键，D为-H、α-OH或β-OH，E为-H、α-OH或β-OH，-G-为侧链基团，—NH-J选择自(i)含有氨基活性化合物的残基，其中所述—NH—基团由所述活性化合物的氨基提供，和(ii)添加了氨基的活性化合物的残基，其中所述—NH—基团由所述添加的氨基提供；每个X和Y独立表示单键，—（CH,2）z—（其中z为1至8），—O—或—S—；n为0或1；m为0或1；p为0或1；但当—NH-J为(i)时，m为1。还公开了一种制备这种化合物的方法。
• THE USE OF BILE ACID DERIVATIVES
  申请人：THE UNIVERSITY OF BIRMINGHAM

  公开号：EP0844890A1

  公开（公告）日：1998-06-03
• LIVER FUNCTION TEST
  申请人：Norgine Europe BV

  公开号：EP1003458B1

  公开（公告）日：2002-10-23
• PHARMACEUTICALLY ACTIVE COMPOUND
  申请人：Norgine Europe BV

  公开号：EP1301212A1

  公开（公告）日：2003-04-16