4-((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-(prop-1-en-2-yl)-3a-ureido-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)benzoic acid | 1392314-35-0

• 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: 4-((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-(prop-1-en-2-yl)-3a-ureido-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)benzoic acid
• 英文别名: 4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-(carbamoylamino)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoic acid
• CAS: 1392314-35-0
• 化学式: C₃₇H₅₂N₂O₃
• 分子量: 572.831
• InChiKey: PXVLXRGQUQNQTI-IYFAHJLCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  42
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  92.4
• 氢给体数：
  3
• 氢受体数：
  3

文献信息

• [EN] C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY<br/>[FR] TRITERPÉNOÏDES MODIFIÉS EN C-17 ET C-3 PRÉSENTANT UNE ACTIVITÉ INHIBITRICE DE LA MATURATION DU VIH
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2012106190A1

  公开（公告）日：2012-08-09

  Compounds having drug and bio-affecting properties, their pharmaceutical compositions and methods of use are set forth. In particular, C-17 and C-3 modified triterpenoids that possess unique antiviral activity are provided as HIV maturation inhibitors, as represented by compounds of Formulas I, II and III. These compounds are useful for the treatment of HIV and AIDS.

  具有药物和生物影响特性的化合物，其药物组合物和使用方法已列出。具体来说，提供了具有独特抗病毒活性的C-17和C-3修饰三萜类化合物，作为HIV成熟抑制剂，如公式I、II和III所代表的化合物。这些化合物对治疗HIV和艾滋病有用。
• C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY
  申请人：REGUEIRO-REN ALICIA

  公开号：US20130035318A1

  公开（公告）日：2013-02-07

  Compounds having drug and bio-affecting properties, their pharmaceutical compositions and methods of use are set forth. In particular, C-17 and C-3 modified triterpenoids that possess unique antiviral activity are provided as HIV maturation inhibitors, as represented by compounds of Formulas I, II and III: These compounds are useful for the treatment of HIV and AIDS.

  本文介绍了具有药物和生物影响性质的化合物、它们的制药组合物和使用方法。特别地，提供了具有独特的抗病毒活性的C-17和C-3修饰三萜类化合物，作为HIV成熟抑制剂，如公式I、II和III所表示的化合物：这些化合物对于治疗HIV和艾滋病是有用的。
• COMPOSITIONS HAVING C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20160151387A1

  公开（公告）日：2016-06-02

  Compounds having drug and bio-affecting properties, their pharmaceutical compositions and methods of use are set forth. In particular, C-17 and C-3 modified triterpenoids that possess unique antiviral activity are provided as HIV maturation inhibitors, as represented by compounds of Formulas I, II and III: These compounds are useful for the treatment of HIV and AIDS.

  本发明涉及具有药物和生物影响性质的化合物，其制药组合物和使用方法。具体而言，提供了具有独特抗病毒活性的C-17和C-3修饰三萜类化合物，作为HIV成熟抑制剂，如公式I、II和III所表示的化合物：这些化合物可用于治疗HIV和艾滋病。
• US20140343000A1
  申请人：——

  公开号：US20140343000A1

  公开（公告）日：2014-11-20
• US8846647B2
  申请人：——

  公开号：US8846647B2

  公开（公告）日：2014-09-30