5-[(Z)-(5-氟-1,2-二氢-2-氧代-3H-吲哚-3-亚基)甲基]-N-[(2S)-2-羟基-3-(4-吗啉基)丙基]-2,4-二甲基-1H-吡咯-3-甲酰胺马来酸盐 | 849643-15-8

• 物质功能分类: 生物化工 - 生化试剂 - 激动剂抑制剂
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: 5-[(Z)-(5-氟-1,2-二氢-2-氧代-3H-吲哚-3-亚基)甲基]-N-[(2S)-2-羟基-3-(4-吗啉基)丙基]-2,4-二甲基-1H-吡咯-3-甲酰胺马来酸盐
• 英文名称: SU14813 maleate
• 英文别名: (Z)-but-2-enedioic acid;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
• CAS: 849643-15-8
• 化学式: C27H31FN4O8
• 分子量: 558.6
• InChiKey: PQPBIMIFGPFTNF-FYOMJGPWSA-N

物化性质

• 溶解度：
  溶于二甲基亚砜

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  40
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  181
• 氢给体数：
  6
• 氢受体数：
  10

文献信息

• [EN] SALTS AND POLYMORPHS OF A PYRROLE-SUBSTITUTED INDOLINONE COMPOUND<br/>[FR] SELS ET POLYMORPHES D'UN COMPOSE D'INDOLINONE A SUBSTITUTION PYRROLIQUE
  申请人：PHARMACIA & UPJOHN CO LLC

  公开号：WO2005033098A1

  公开（公告）日：2005-04-14

  The invention relates to non-hygroscopic salts of 5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H--indol-3-ylidene)methyl]-N-[(2)-2-hydroxy-3-morpholin-4-ylpropyl]-2,4-dimethyl-1 H-pyrrole-3--yarboxamide,shown in structural formula (1) such as maleate salts, and to crystalline polymorphs of these salts. The invention further relates to pharmaceutical compositions of 5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3--ylidene)methyl]-N-[(2S)-2-hyd carboxamide salts, and meth roxy-3-morpholin-4-ylpropyl]-2,4-dimethyl-1 H-pyrrole-3- ds of treating disorders such as cancer using such compositions.

  本发明涉及5-[(Z)-(5-氟-2-氧-1,2-二氢-3H-吲哚-3-基甲基)]-N-[(2S)-2-羟基-3-吗啡啶-4-基丙基]-2,4-二甲基-1H-吡咯-3-羧酰胺的非吸湿性盐，例如马来酸盐，并涉及这些盐的晶型多态。本发明还涉及5-[(Z)-(5-氟-2-氧-1,2-二氢-3H-吲哚-3-基甲基)]-N-[(2S)-2-羟基-3-吗啡啶-4-基丙基]-2,4-二甲基-1H-吡咯-3-羧酰胺盐和甲氧基-3-吗啡啶-4-基丙基]-2,4-二甲基-1H-吡咯-3-羧酰胺盐的制药组合物，以及使用这些组合物治疗癌症等疾病的方法。
• Salts and polymorphs of a pyrrole-substituted indolinone compound
  申请人：Blasko Andrei

  公开号：US20050118255A1

  公开（公告）日：2005-06-02

  The invention relates to non-hygroscopic salts of 5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide, such as maleate salts, and to crystalline polymorphs of these salts. The invention further relates to pharmaceutical compositions of 5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide salts, and methods of treating disorders such as cancer using such compositions.

  本发明涉及 5-[(Z)-(5-氟-2-氧代-1,2-二氢-3H-吲哚-3-亚基)甲基]-N-[(2S)-2-羟基-3-吗啉-4-基丙基]-2,4-二甲基-1H-吡咯-3-甲酰胺的非吸湿盐，如马来酸盐，以及这些盐的结晶多晶体。本发明进一步涉及 5-[(Z)-(5-氟-2-氧代-1,2-二氢-3H-吲哚-3-亚基)甲基]-N-[(2S)-2-羟基-3-吗啉-4-基丙基]-2,4-二甲基-1H-吡咯-3-甲酰胺盐的药物组合物，以及使用此类组合物治疗癌症等疾病的方法。
• SALTS AND POLYMORPHS OF A PYRROLE-SUBSTITUTED INDOLINONE COMPOUND
  申请人：Pharmacia & Upjohn Company LLC

  公开号：EP1670785B1

  公开（公告）日：2010-07-07
• METHODS FOR TREATING NEUROPSYCHIATRIC CONDITIONS
  申请人：Vollrath Benedikt

  公开号：US20100317715A1

  公开（公告）日：2010-12-16

  Provided herein are compositions and methods for treating a subject suffering from Fragile X syndrome, autism, Down's syndrome, mental retardation, or a neuropsychiatric condition (e.g., schizophrenia). The methods include systemic administration of a a therapeutically effective amount of a PAK inhibitor in combination with a Group I mGluR antagonist (e.g., an mGluR5 antagonist). The PAK inhibitor and mGluR antagonist can be administered together, e.g., in one pharmacological composition, or they can be administered separately.
• US7247627B2
  申请人：——

  公开号：US7247627B2

  公开（公告）日：2007-07-24