(8S,9S,13S,14S,17R)-17-[(2S)-1-aminopropan-2-yl]-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol

• 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: (8S,9S,13S,14S,17R)-17-[(2S)-1-aminopropan-2-yl]-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
• 化学式: C₂₂H₃₃NO₂
• 分子量: 343.5
• InChiKey: IRPRSLJTTBLWPQ-ABOPSVTQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  55.5
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• [EN] 17-(C(CH3) (CH2) O-3C (R4, R5) N (R6, R7))-SUBSTITUTED 19-NOR-PREGNA-1, 3, 5(10)-TRIENE DERIVATIVES AND THEIR MEDICAL USE<br/>[FR] DERIVES DE 19-NOR-PREGNA-1, 3, 5(10)-TRIENE 17-(C(CH3) (CH2) O-3C (R4, R5) N (R6, R7))- SUBSTITUES ET LEUR UTILISATION MEDICALE
  申请人：MARSDEN JOHN CHRISTOPHER

  公开号：WO2002092100A1

  公开（公告）日：2002-11-21

  Compounds of formula (I) in which: R1 represents a hydrogen atom or an o-protecting group; R2 represents a hydroxyl, lower alkoxy, carboxaldehyde, lower alk-1-enyl or hydroxy- or lower alkoxy-substituted lower alkyl group; R3 represents a methyl group having α- or β- configuration; X represents a C¿1-3? alkylene group or a valence bond; Y represents a group of formula -C(R?4) (R5)NR6R7¿ where R?4 and R5¿, 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 R5¿ does not exceed three atoms; R6 represents a hydrogen atom, an aliphatic or araliphatic organic group, or an acyl group comprising an aliphatic, araliphatic or aryl organic group linked to the nitrogen atom by way of a carbonyl group; and R7 is a hydrogen atom or a lower alkyl group; 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.