4-[(1-Carboxy-2-hydroxyethyl)amino]-3-[[2-[[5-(diaminomethylideneamino)-2-[[4-oxo-4-[[4-(4-oxo-8-phenylchromen-2-yl)morpholin-4-ium-4-yl]methoxy]butanoyl]amino]pentanoyl]amino]acetyl]amino]-4-oxobutanoate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 4-[(1-Carboxy-2-hydroxyethyl)amino]-3-[[2-[[5-(diaminomethylideneamino)-2-[[4-oxo-4-[[4-(4-oxo-8-phenylchromen-2-yl)morpholin-4-ium-4-yl]methoxy]butanoyl]amino]pentanoyl]amino]acetyl]amino]-4-oxobutanoate
• 英文别名: 4-[(1-carboxy-2-hydroxyethyl)amino]-3-[[2-[[5-(diaminomethylideneamino)-2-[[4-oxo-4-[[4-(4-oxo-8-phenylchromen-2-yl)morpholin-4-ium-4-yl]methoxy]butanoyl]amino]pentanoyl]amino]acetyl]amino]-4-oxobutanoate
• 化学式: C39H48N8O14
• 分子量: 852.8
• InChiKey: SVNJBEMPMKWDCO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  61
• 可旋转键数：
  21
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  345
• 氢给体数：
  7
• 氢受体数：
  15

文献信息

• [EN] TREATMENT OF RB-NEGATIVE TUMORS USING TOPOISOMERASE INHIBITORS IN COMBINATION WITH CYCLIN DEPENDENT KINASE 4/6 INHIBITORS<br/>[FR] TRAITEMENT DE TUMEURS RB-NÉGATIVES EN UTILISANT DES INHIBITEURS DE LA TOPOISOMÉRASE EN ASSOCIATION AVEC DES INHIBITEURS DES KINASES CYCLINE-DÉPENDANTES 4/6
  申请人：G1 THERAPEUTICS INC

  公开号：WO2016040848A1

  公开（公告）日：2016-03-17

  This invention is in the area of improved therapeutic combinations for and methods of treating selected retinoblastoma (Rb)-negative cancers and Rb-negative abnormal cellular proliferative disorders using particular topoisomerase inhibitors and specific cyclin-dependent kinase 4/6 (CDK4/6) inhibitors. In one aspect, the improved treatment of select Rb-negative cancers is disclosed using specific compounds disclosed herein in combination with a topoisomerase I inhibitor.

  这项发明涉及改进的治疗组合和方法，用于治疗选择性视网膜母细胞瘤（Rb）阴性癌症和Rb阴性异常细胞增殖障碍，使用特定的拓扑异构酶抑制剂和特定的细胞周期依赖性激酶4/6（CDK4/6）抑制剂。在一个方面，使用本文披露的特定化合物与拓扑异构酶I抑制剂结合，披露了对选择性Rb阴性癌症的改进治疗。
• COMPOSITION FOR PREVENTION OR TREATMENT OF INTRACTABLE EPILEPSY COMPRISING MTOR INHIBITOR
  申请人：Korea Advanced Institute of Science and Technology

  公开号：EP3266455B1

  公开（公告）日：2020-12-30
• COMPOSITION FOR PREVENTION OR TREATMENT OF INTRACTABLE EPILEPSY COMPRISING mTOR INHIBITOR
  申请人：KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY

  公开号：US20210186980A1

  公开（公告）日：2021-06-24

  Provided is a use of the prophylaxis, amelioration or therapy of intractable epilepsy, for example, Focal Cortical Dysplasia (FCD).