2-methoxy-3-hydroxy-19-nor-chol-1,3,5(10),16-tetraen-24-ol | 372952-23-3

• 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-methoxy-3-hydroxy-19-nor-chol-1,3,5(10),16-tetraen-24-ol
• 英文别名: (8S,9S,13S,14S)-17-[(2R)-5-hydroxypentan-2-yl]-2-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-ol
• CAS: 372952-23-3
• 化学式: C₂₄H₃₄O₃
• 分子量: 370.532
• InChiKey: XSTKVVBESWHXEW-FNZYEDACSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• 2-substituted pregna-1,3,5(10) triene and chola-1,3,5(10) triene derivatives and their biological activity
  申请人：——

  公开号：US20030158167A1

  公开（公告）日：2003-08-21

  Compounds of formula (I) in which: R 1 represents a hydrogen atom or an O-protecting group; R 2 represents a hydroxyl, lower alkoxy, carboxaldehyde, lower alk-1-enyl or hydroxy- or lower alkoxy-substituted lower alkyl group; R 3 represents a methyl group having &agr;- or &bgr;-configuration; X represents a C 1-3 alkylene group or a valence bond; Y represents a carboxaldehyde group or a group of formula —C(R 4 )(R 5 )OR 1 where R 1 is as defined above and R 4 and R 5 , which may be the same or different, are each selected from hydrogen atoms, alkyl, alkenyl and alkynyl groups such that the total carbon content of R 4 and R 5 does not exceed three atoms, with the proviso that X is a valence bond when both R 4 and R 5 are other than hydrogen; and the dotted line signifies that a double bond may optionally be present at the 16(17)-position exhibit potent cell modulating activity, including antiproliferative and antiangiogenic effects.

  式(I)中的化合物：R1代表氢原子或O-保护基团；R2代表羟基，低碳基氧基，羧醛基，低碳基-1-烯基或羟基或低碳基氧基取代的低碳基团；R3代表具有α或β-构型的甲基基团；X代表C1-3烷基烯基或一个价键；Y代表羧醛基团或式—C(R4)(R5)OR1的基团，其中R1如上定义，R4和R5可以相同也可以不同，每个都选择自氢原子、烷基、烯基和炔基团，使得R4和R5的总碳含量不超过三个原子，条件是当R4和R5均非氢时，X为一个价键；虚线表示16(17)-位可能存在双键的化合物表现出强大的细胞调节活性，包括抗增殖和抗血管生成作用。
• 2-SUBSTITUTED PREGNA-1,3,5(10)-TRIENE AND CHOLA-1,3,5(10)-TRIENE DERIVATIVES AND THEIR BIOLOGICAL ACTIVITY
  申请人：RESEARCH INSTITUTE FOR MEDICINE AND CHEMISTRY INC.

  公开号：EP1287017B1

  公开（公告）日：2005-08-03
• US6967195B2
  申请人：——

  公开号：US6967195B2

  公开（公告）日：2005-11-22