3-[(3-{[4-(4-morpholinylmethyl)-1H-pyrrol-2-yl]methylene}-2-oxo-2,3-dihydro-1H-indol-5-yl)methyl]-1,3-thiazolidine-2,4-dione methanesulphonate

• 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
• 英文名称: 3-[(3-{[4-(4-morpholinylmethyl)-1H-pyrrol-2-yl]methylene}-2-oxo-2,3-dihydro-1H-indol-5-yl)methyl]-1,3-thiazolidine-2,4-dione methanesulphonate
• 英文别名: (Z)-3-[(3-{[4-(4-morpholinylmethyl)-1H-pyrrol-2-yl]methylene}-2-oxo-2,3-dihydro-1H-indol-5-yl)methyl]-1,3-thiazolidine-2,4-dione methanesulphonate；methanesulfonic acid;3-[[(3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-thiazolidine-2,4-dione
• 化学式: CH₄O₃S*C₂₂H₂₂N₄O₄S
• 分子量: 534.614
• InChiKey: HLEPAHCDDMLYAE-NAIZSXBXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.04
• 重原子数：
  36
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  183
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  甲烷磺酸 、 3-[(3-{[4-(4-morpholinylmethyl)-1H-pyrrol-2-yl]methylene}-2-oxo-2,3-dihydro-1H-indol-5-yl)methyl]-1,3-thiazolidine-2,4-dione 以 水 、 乙腈 为溶剂， 生成 3-[(3-{[4-(4-morpholinylmethyl)-1H-pyrrol-2-yl]methylene}-2-oxo-2,3-dihydro-1H-indol-5-yl)methyl]-1,3-thiazolidine-2,4-dione methanesulphonate
  参考文献：
  名称：

  SALT OF 3-[(3--2-OXO-2,3-DIHYDRO-1H-INDOL-5-YL)METHYL]-1,3-THIAZOLIDINE-2,4-DIONE, ITS PREPARATION, AND FORMULATIONS CONTAINING I

  摘要：

  公式（II）的甲磺酸盐：3-[3-{[4-(4-吗啉甲基)-1H-吡咯-2-基]亚甲基}-2-氧代-2,3-二氢-1H-吲哚-5-基)甲基]-1,3-噻唑烷-2,4-二酮。含有该化合物的药物可用于治疗癌症。

  公开号：

  US20160151378A1

文献信息

• Salt of 3-[(3-{[4-(4-morpholinylmethyl)-1H-pyrrol-2-yl]methylene}-2-oxo-2,3-dihydro-1H-indol-5-yl)methyl]-1,3-thiazolidine-2,4-dione, its preparation, and formulations containing it
  申请人：LES LABORATOIRES SERVIER

  公开号：US10245270B2

  公开（公告）日：2019-04-02

  3-[(3-[4-(4-morpholinylmethyl)-1H-pyrrol-2-yl]methylene}-2-oxo-2,3-dihydro-1H-indol-5-yl)methyl]-1,3-thiazolidine-2,4-dione methanesulphonate of formula (II): Medicinal products containing the same which are useful in treating cancer.

  式 (II) 的 3-[(3-[4-(4-吗啉基甲基)-1H-吡咯-2-基]亚甲基}-2-氧代-2,3-二氢-1H-吲哚-5-基)甲基]-1,3-噻唑烷-2,4-二酮甲磺酸酯： 含有相同成分的可用于治疗癌症的药物产品。
• NOUVEAU SEL DE LA 3-[(3-{[4-(4-MORPHOLINYLMÉTHYL)-1H-PYRROL-2-YL]MÉTHYLÈNE}-2-OXO-2,3-DIHYDRO-1H-INDOL-5-YL)MÉTHYL]-1,3-THIAZOLIDINE-2,4-DIONE, SA PRÉPARATION, ET LES FORMULATIONS QUI LE CONTIENNENT
  申请人：Les Laboratoires Servier

  公开号：EP3019497A1

  公开（公告）日：2016-05-18
• ASSOCIATION ENTRE LE 3-[(3-{[4-(4-MORPHOLINYLMÉTHYL)-1H-PYRROL-2-YL]MÉTHYLÈNE}-2-OXO-2,3-DIHYDRO-1H-INDOL-5-YL)MÉTHYL]-1,3-THIAZOLIDINE-2,4-DIONE ET UN INHIBITEUR DE LA TYR KINASE DU EGFR
  申请人：Les Laboratoires Servier

  公开号：EP3124025B1

  公开（公告）日：2018-02-28
• ASSOCIATION BETWEEN 3-[(3--2-OXO-2,3-DIHYDRO-1H-INDOL-5-YL)METHYL]-1,3-THIAZOLIDINE-2,4-DIONE AND AN EGFR TYR KINASE INHIBITOR
  申请人：LES LABORATOIRES SERVIER

  公开号：US20170027952A1

  公开（公告）日：2017-02-02

  Association between 3-[(3-[4-(4-morpholinylmethyl)-1H-pyrrol-2-yl]methylene}-2-oxo-2,3-dihydro-1H-indol-5-yl)methyl]-1,3-thiazolidine-2,4-dione of formula (I): or a Z or E isomer thereof and/or an addition salt thereof with a pharmaceutically acceptable acid or base, and a human epidermal growth factor receptor (EGFR) tyrosine kinase inhibitor. Medicinal products containing the same which are useful in treating non-small cell lung cancer.
• SALT OF 3-[(3-{[4-(4-MORPHOLINYLMETHYL)-1H-PYRROL-2-YL]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOL-5-YL)METHYL]-1,3-THIAZOLIDINE-2,4-DIONE, ITS PREPARATION, AND FORMULATIONS CONTAINING IT
  申请人：LES LABORATOIRES SERVIER

  公开号：US20180207171A1

  公开（公告）日：2018-07-26

  3-[(3-[4-(4-morpholinylmethyl)-1H-pyrrol-2-yl]methylene}-2-oxo-2,3-dihydro-1H-indol5-yl)methyl]-1,3-thiazolidine-2,4-dione methanesulphonate of formula (II): Medicinal products containing the same which are useful in treating cancer.