N-((3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(2-oxo-2H-pyran-5-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)-1,4-diazacycloheptane-1-carboxamide | 1385012-18-9

• 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: N-((3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(2-oxo-2H-pyran-5-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)-1,4-diazacycloheptane-1-carboxamide
• 英文别名: N-((3S,5R,8R,9S,10S,13R,14S,17R)-14-Hydroxy-10,13-dimethyl-17-(2-oxo-2H-pyran-5-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)-1,4-diazepan-1-carboxamide；N-((3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(2-oxo-2H-pyran-5-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)-1,4-diazepane-1-carboxamide；N-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-1,4-diazepane-1-carboxamide
• CAS: 1385012-18-9
• 化学式: C₃₀H₄₅N₃O₄
• 分子量: 511.705
• InChiKey: KOTKFQPGZKBDFE-CLRTXAQLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  37
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  90.9
• 氢给体数：
  3
• 氢受体数：
  5

文献信息

• [EN] CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS<br/>[FR] CERTAINES ENTITÉS CHIMIQUES, COMPOSITIONS ET PROCÉDÉS
  申请人：NEUPHARMA INC

  公开号：WO2013165924A1

  公开（公告）日：2013-11-07

  Chemical entities that are novel compounds, pharmaceutical compositions and methods of treatment of cancer are described.

  描述了新化合物、药物组合物和治疗癌症的方法的化学实体。
• BUFADIENOLIDE DERIVATIVES, PREPARING PROCESS THEREOF, COMPOSITION COMPRISING THE SAME AND THE USE THEREOF
  申请人：Hu Lihong

  公开号：US20130005696A1

  公开（公告）日：2013-01-03

  The present invention provides a class of bufadienolide derivatives representing by the following formula I or pharmaceutically acceptable salts thereof, the preparing process thereof, pharmaceutical composition comprising the same and the use thereof. The bufadienolide derivatives have inhibitory activities against human-derived tumor cell lines, and thus can be used as a drug for treating malignancies.

  本发明提供了一类以以下公式I表示的蟾毒甾醇衍生物或其药用盐，其制备方法，包含相同的药物组合物以及其用途。蟾毒甾醇衍生物对人源肿瘤细胞系具有抑制活性，因此可用作治疗恶性肿瘤的药物。
• CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS
  申请人：NEUPHARMA, INC.

  公开号：US20160039865A1

  公开（公告）日：2016-02-11

  Chemical entities that are novel compounds, pharmaceutical compositions and methods of treatment of cancer are described.

  本文描述了新化合物、制药组合物和治疗癌症的方法。
• Certain chemical entities, compositions, and methods
  申请人：NeuPharma, Inc.

  公开号：US11325940B2

  公开（公告）日：2022-05-10

  Chemical entities that are novel compounds, pharmaceutical compositions and methods of treatment of cancer are described.

  介绍了治疗癌症的新型化合物、药物组合物和方法的化学实体。
• BUFADIENOLIDE COMPOUNDS SUBSTITUTED IN POSITION 3 BY AN AMINE GROUP FOR USE IN THE TREATMENT OF CANCER
  申请人：Neupharma, Inc.

  公开号：EP3453713B1

  公开（公告）日：2021-09-08