5-[4-(-3-CHLORO-4-FLUORO-PHENYLAMINO)-2-OXO-1,2-DIHYDRO-PYRROLO [2,3-B]PYRIDIN-3-YLIDENEMETHYL]-4-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID (2-MORPHOLIN-4-YL-ETHYL)-AMIDE | 346599-64-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: 5-[4-(-3-CHLORO-4-FLUORO-PHENYLAMINO)-2-OXO-1,2-DIHYDRO-PYRROLO [2,3-B]PYRIDIN-3-YLIDENEMETHYL]-4-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID (2-MORPHOLIN-4-YL-ETHYL)-AMIDE
• 英文别名: 5-[4-(3-chloro-4-fluoro-phenylamino)-2-oxo-1,2-dihydro-pyrrolo [2,3-b]pyridin-3-ylidenemethyl]-4-methyl-1H-pyrrole-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide；5-[[4-(3-chloro-4-fluoroanilino)-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-ylidene]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide
• CAS: 346599-64-2
• 化学式: C₂₆H₂₆ClFN₆O₃
• 分子量: 524.982
• InChiKey: JRCUOZAWVLMGKU-UHFFFAOYSA-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：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  111
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  5-(4-chloro-2-oxo-1,2-dihydro-pyrrolo [2,3-b]pyridin-3-ylidenemethyl)-4-methyl-1H-pyrrole-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide 、 3-氯-4-氟苯胺 、 对甲苯磺酸一水合物 在 甲醇 、 二氯甲烷 作用下， 以 二乙二醇二甲醚 为溶剂， 反应 6.0h， 以to give 5-[4-(3-chloro-4-fluoro-phenylamino)-2-oxo-1,2-dihydro-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-4-methyl-1H-pyrrole-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide as an orange solid (yield is about 28%)的产率得到5-[4-(-3-CHLORO-4-FLUORO-PHENYLAMINO)-2-OXO-1,2-DIHYDRO-PYRROLO [2,3-B]PYRIDIN-3-YLIDENEMETHYL]-4-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID (2-MORPHOLIN-4-YL-ETHYL)-AMIDE
  参考文献：
  名称：

  4-Substituted 7-aza-indolin-2-ones and their use as protein kinase inhibitors

  摘要：

  本发明涉及4-取代的7-氮杂吲哚-2-酮及其作为蛋白激酶抑制剂的用途。本文披露的特定4-取代的7-氮杂吲哚-2-酮属于公式11和其药学上可接受的盐、溶剂合物、包合物和前药，其中R1、R2、R3、R4、X、Y和Z在此定义。本发明还涉及包含公式1化合物的制药组合物和剂型，以及其用于治疗和/或预防癌症等疾病的方法。

  公开号：

  US20040053924A1

文献信息

• 4-substituted 7-aza-indolin-2-ones and their use as protein kinase inhibitors
  申请人：——

  公开号：US20020183319A1

  公开（公告）日：2002-12-05

  This invention relates to 4-substituted 7-aza-indolin-2-ones and their use as protein kinase inhibitors. Particular 4-substituted 7-aza-indolin-2-ones disclosed herein are of Formula 1 1 and pharmaceutically acceptable salts, solvates, clathrates, and prodrugs thereof, wherein R 1 , R 2 , R 3 , R 4 , X, Y, and Z are defined herein. The invention fuirther relates to pharmaceutical compositions and dosage forms comprising compounds of Formula 1 and to methods of their use for the treatment and/or prevention of diseases such as, but not limited to, cancer.

  该发明涉及4-取代的7-氮杂吲哚-2-酮及其作为蛋白激酶抑制剂的用途。本文披露的特定4-取代的7-氮杂吲哚-2-酮属于第11式和其药学上可接受的盐、溶剂合物、包合物和前药，其中R1、R2、R3、R4、X、Y和Z在此定义。该发明还涉及包含第1式化合物的药物组合物和剂型，以及其用于治疗和/或预防癌症等疾病的方法。
• 4-Substituted 7-aza-indolin-2-ones and their use as protein kinase inhibitors
  申请人：SUGEN, INC.

  公开号：US20040053924A1

  公开（公告）日：2004-03-18

  This invention relates to 4-substituted 7-aza-indolin-2-ones and their use as protein kinase inhibitors. Particular 4-substituted 7-aza-indolin-2-ones disclosed herein are of Formula 1 1 and pharmaceutically acceptable salts, solvates, clathrates, and prodrugs thereof, wherein R 1 , R 2 , R 3 , R 4 , X, Y, and Z are defined herein. The invention further relates to pharmaceutical compositions and dosage forms comprising compounds of Formula 1 and to methods of their use for the treatment and/or prevention of diseases such as, but not limited to, cancer.

  本发明涉及4-取代的7-氮杂吲哚-2-酮及其作为蛋白激酶抑制剂的用途。本文披露的特定4-取代的7-氮杂吲哚-2-酮属于公式11和其药学上可接受的盐、溶剂合物、包合物和前药，其中R1、R2、R3、R4、X、Y和Z在此定义。本发明还涉及包含公式1化合物的制药组合物和剂型，以及其用于治疗和/或预防癌症等疾病的方法。
• 4-substituted 7-AZA-indolin-2-ones and their use as protein kinase inhibitors
  申请人：Liang Congxin

  公开号：US06908930B2

  公开（公告）日：2005-06-21

  This invention relates to 4-substituted 7-aza-indolin-2-ones and their use as protein kinase inhibitors. Particular 4-substituted 7-aza-indolin-2-ones disclosed herein are of Formula 1 and pharmaceutically acceptable salts, solvates, clathrates, and prodrugs thereof, wherein R 1 , R 2 , R 3 , R 4 , X, Y, and Z are defined herein. The invention further relates to pharmaceutical compositions and dosage forms comprising compounds of Formula 1 and to methods of their use for the treatment and/or prevention of diseases such as, but not limited to, cancer.

  本发明涉及4-取代的7-氮杂吲哚-2-酮及其作为蛋白激酶抑制剂的用途。本文所披露的特定的4-取代的7-氮杂吲哚-2-酮为式1及其药学上可接受的盐、溶剂合物、包合物和前药，其中R1、R2、R3、R4、X、Y和Z在此定义。本发明还涉及包含式1化合物的制药组合物和剂型，以及其用于治疗和/或预防癌症等疾病的方法，但不限于此。