2-oxo-2,3-dihydro-1H-indole-5-sulfonic acid-4-fluoro-benzylamide | 380242-04-6

• 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: 2-oxo-2,3-dihydro-1H-indole-5-sulfonic acid-4-fluoro-benzylamide
• 英文别名: N-[(4-fluorophenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
• CAS: 380242-04-6
• 化学式: C₁₅H₁₃FN₂O₃S
• 分子量: 320.344
• InChiKey: IEJOUCFNOKPSPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  83.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-(3-dimethylamino-propyl)-4,5,6,7-tetrahydro-1H-indole-2-carbaldehyde 、 2-oxo-2,3-dihydro-1H-indole-5-sulfonic acid-4-fluoro-benzylamide 在 base 作用下， 生成 3-[3-(3-dimethylamino-propyl)-4,5,6,7-tetrahydro-1H-indol-2-ylmethylene]-2-oxo-2,3-dihydro-1H-indole-5-sulfonic acid 4-fluoro-benzylamide
  参考文献：
  名称：

  Design and synthesis of aminopropyl tetrahydroindole-based indolin-2-ones as selective and potent inhibitors of Src and Yes tyrosine kinase

  摘要：

  A novel series of substituted 3-[3-(aminopropyl)-4,5,6,7-tetrahydro-1H-indol-2-ylmethylene]-1,3-dihydro-indole-2-ones was discovered as potent inhibitors of the non-receptor tyrosine kinase Src and Yes. A structure-activity relationship was developed in order to optimize their potency and selectivity. Syntheses of these compounds are also described herein. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.09.069
• 作为产物：
  描述：

  2-吲哚酮 在 氯磺酸 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 生成 2-oxo-2,3-dihydro-1H-indole-5-sulfonic acid-4-fluoro-benzylamide
  参考文献：
  名称：

  Design and synthesis of aminopropyl tetrahydroindole-based indolin-2-ones as selective and potent inhibitors of Src and Yes tyrosine kinase

  摘要：

  A novel series of substituted 3-[3-(aminopropyl)-4,5,6,7-tetrahydro-1H-indol-2-ylmethylene]-1,3-dihydro-indole-2-ones was discovered as potent inhibitors of the non-receptor tyrosine kinase Src and Yes. A structure-activity relationship was developed in order to optimize their potency and selectivity. Syntheses of these compounds are also described herein. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.09.069

文献信息

• Indolinone derivatives as protein kinase/phosphatase inhibitors
  申请人：——

  公开号：US20020052369A1

  公开（公告）日：2002-05-02

  The present invention relates to certain 2-indolinone compounds which modulate the activity of protein kinases (“PKs”) and phosphatases. The compounds of this invention are therefore useful in treating disorders related to abnormal PK activity. Pharmaceutical compositions comprising these compounds, methods of treating diseases utilizing pharmaceutical compositions comprising these compounds and methods of preparing them are also disclosed.

  本发明涉及调节蛋白激酶（“PKs”）和磷酸酶活性的某些2-吲哚酮化合物。因此，本发明的化合物在治疗与异常PK活性相关的疾病方面是有用的。还公开了包含这些化合物的药物组合物、利用包含这些化合物的药物组合物治疗疾病的方法以及制备它们的方法。
• 4-Phenyl-3-substituierte 1,4-Dihydropyridinester mit cerebraler Aktivität
  申请人：BAYER AG

  公开号：EP0657431B1

  公开（公告）日：2003-02-19
• INDOLINONE DERIVATIVES AS PROTEIN KINASE/PHOSPHATASE INHIBITORS
  申请人：Sugen, Inc.

  公开号：EP1294688A2

  公开（公告）日：2003-03-26
• US6706709B2
  申请人：——

  公开号：US6706709B2

  公开（公告）日：2004-03-16
• US7071332B2
  申请人：——

  公开号：US7071332B2

  公开（公告）日：2006-07-04