3-{3-[4-(2-Hydroxyethyl)-piperazin-1-yl]-propyl}-4,5,6,7-tetrahydro-1H-indole-2-carbaldehyde | 502157-25-7

• 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-(2-Hydroxyethyl)-piperazin-1-yl]-propyl}-4,5,6,7-tetrahydro-1H-indole-2-carbaldehyde
• 英文别名: 3-{3-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-propyl}-4,5,6,7-tetrahydro-1h-indole-2-carbaldehyde；3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-4,5,6,7-tetrahydro-1H-indole-2-carbaldehyde
• CAS: 502157-25-7
• 化学式: C₁₈H₂₉N₃O₂
• 分子量: 319.447
• InChiKey: RVLKEKHHUBUIFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  59.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-oxo-2,3-dihydro-1H-indole-5-sulfonic acid methylamide 、 3-{3-[4-(2-Hydroxyethyl)-piperazin-1-yl]-propyl}-4,5,6,7-tetrahydro-1H-indole-2-carbaldehyde 在 base 作用下， 生成 3-[1-(3-{3-[4-(2-hydroxy-ethyl)-piperazin-1-yl]-propyl}-4,5,6,7-tetrahydro-1H-indol-2-yl)-meth-(Z)-ylidene]-2-oxo-2,3-dihydro-1H-indole-5-sulfonic acid methylamide
  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：

  3-(4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl)propanoic acid 在 lithium aluminium tetrahydride 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 三乙胺 、 三氯氧磷 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 生成 3-{3-[4-(2-Hydroxyethyl)-piperazin-1-yl]-propyl}-4,5,6,7-tetrahydro-1H-indole-2-carbaldehyde
  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

• 3-(4,5,6,7-Tetrahydroindol-2-ylmethylidiene-2-indolinone derivatives as kinase inhibitors
  申请人：Sugen, Inc.

  公开号：US20030119819A1

  公开（公告）日：2003-06-26

  The present invention relates to certain 3-(4,5,6,7-tetrahydroindol-2-yl-methylidene)-2-indolinone derivatives that inhibit kinases, in particular Src kinase. Pharmaceutical compositions comprising these compounds, methods of treating diseases mediated by kinases utilizing pharmaceutical compositions comprising these compounds, and methods of preparing them are also disclosed.

  本发明涉及抑制激酶的某些3-(4,5,6,7-四氢吲哚-2-基甲基)-2-吲哚酮衍生物，特别是Src激酶。还公开了包括这些化合物的药物组合物、利用包括这些化合物的药物组合物治疗激酶介导的疾病的方法，以及它们的制备方法。
• 3-(4,5,6,7-tetrahydroindol-2-ylmethylidiene)-2-indolinone derivatives as kinase inhibitors
  申请人：SUGEN, INC.

  公开号：US20040266855A1

  公开（公告）日：2004-12-30

  The present invention relates to certain 3-(4,5,6,7-tetrahydroindol-2-yl-methylidene)-2-indolinone derivatives that inhibit kinases, in particular Src kinase. Pharmaceutical compositions comprising these compounds, methods of treating diseases mediated by kinases utilizing pharmaceutical compositions comprising these compounds, and methods of preparing them are also disclosed.

  本发明涉及某些3-(4,5,6,7-四氢吲哚-2-基甲基)-2-吲哚酮衍生物，其抑制激酶，特别是Src激酶。本发明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激酶介导的疾病的方法，以及制备这些化合物的方法。
• 3-(4,5,6,7-tetrahydroindol-2-ylmethylidiene-2-indolinone derivatives as kinase inhibitors
  申请人：Sugen, Inc.

  公开号：US06777417B2

  公开（公告）日：2004-08-17

  The present invention relates to certain 3-(4,5,6,7-tetrahydroindol-2-yl-methylidene)-2-indolinone derivatives that inhibit kinases, in particular Src kinase. Pharmaceutical compositions comprising these compounds, methods of treating diseases mediated by kinases utilizing pharmaceutical compositions comprising these compounds, and methods of preparing them are also disclosed.

  本发明涉及一些抑制激酶，特别是Src激酶的3-(4,5,6,7-四氢吲哚-2-基甲基)-2-吲哚酮衍生物。本发明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激酶介导的疾病的方法以及制备它们的方法。
• 3-(4,5,6,7-TETRAHYDROINDOL-2-YLMETHYLIDIENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS
  申请人：Liang, Congxin

  公开号：EP1436259A1

  公开（公告）日：2004-07-14
• US6777417B2
  申请人：——

  公开号：US6777417B2

  公开（公告）日：2004-08-17