22β-(4-phenylaminomethylbenzyloxy)olean-12-ene-3β,24-diol | 1312328-89-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 22β-(4-phenylaminomethylbenzyloxy)olean-12-ene-3β,24-diol
• 英文别名: (3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-[[4-(anilinomethyl)phenyl]methoxy]-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol
• CAS: 1312328-89-4
• 化学式: C₄₄H₆₃NO₃
• 分子量: 653.989
• InChiKey: QNHFMXIUDQNUAN-AVTIDDNTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.5
• 重原子数：
  48
• 可旋转键数：
  7
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  61.7
• 氢给体数：
  3
• 氢受体数：
  4

文献信息

• TRITERPENE DERIVATIVE AND AGENT FOR PREVENTING OR TREATING CHRONIC HEPATITIS C
  申请人：Ishikawa Makoto

  公开号：US20120251492A1

  公开（公告）日：2012-10-04

  Provided are a triterpene derivative represented by a general formula (I), a pharmaceutically acceptable salt thereof, and an agent for preventing or treating chronic hepatitis C comprising the triterpene derivative or the salt as an active ingredient: [in the formula (I), R 1 represents a carboxyl group, a hydroxymethyl group, —CH 2 OSO 3 H, or and R 2 represents —OR 3 or —O— (CH 2 ) m-OR 4 , where R 3 represents a benzyl group which may be substituted with a hydroxymethyl group, a dimethylaminomethyl group, a phenylaminomethyl group, a morpholinomethyl group, a carboxyl group, or a formyl group, a C 1-6 alkyl group, a C 2-6 alkenyl group, a C 2-6 alkynyl group, or a hydroxy C 1-6 alkyl group, R 4 represents a phenyl group which may be substituted with a carboxyl group, and m represents an integer of 1 to 3, with the proviso that a case where R 1 is —CH 2 OH, and R 3 is a C 1-6 alkyl group, a C 2-6 alkenyl group, or a benzyl group is excluded].

  提供了一种由通式（I）表示的三萜衍生物，其药学上可接受的盐，以及包含所述三萜衍生物或盐作为活性成分的预防或治疗慢性丙型肝炎的药剂： [在式（I）中，R1代表羧基、羟甲基基团、—CH2OSO3H，或 和R2代表—OR3或—O—（ ）m-OR4，其中R3代表苄基，可能被羟甲基基团、二甲氨基甲基基团、苯胺基甲基基团、吗啉基甲基基团、羧基或甲酰基取代，C1-6烷基、C2-6烯基、C2-6炔基或羟基C1-6烷基，R4代表苯基，可能被羧基取代，m表示1至3的整数，但排除R1为— OH，R3为C1-6烷基、C2-6烯基或苄基的情况].