1-[4-(2-hydroxy-ethyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-2,5,6,7-tetrahydro-pyrrolo[3,4-c]pyridin-4-one

• 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: 1-[4-(2-hydroxy-ethyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-2,5,6,7-tetrahydro-pyrrolo[3,4-c]pyridin-4-one
• 英文别名: Pyrrollylactam indolinone driv. 16k；1-[(Z)-[4-(2-hydroxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-4-one
• 化学式: C₁₈H₁₇N₃O₃
• 分子量: 323.351
• InChiKey: NJMMRCLGMDYDCP-WQLSENKSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  94.2
• 氢给体数：
  4
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-Boc-2-哌啶酮 在 哌啶 、 六甲基磷酰三胺 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 间氯过氧苯甲酸 、 三氟乙酸 、 lithium diisopropyl amide 、 三氯氧磷 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 甲苯 为溶剂， 生成 1-[4-(2-hydroxy-ethyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-2,5,6,7-tetrahydro-pyrrolo[3,4-c]pyridin-4-one
  参考文献：
  名称：

  Novel pyrrolyllactone and pyrrolyllactam indolinones as potent cyclin-Dependent kinase 2 inhibitors

  摘要：

  Cyclin-dependent kinases (CDKs) are essential in the control of cell cycle progression. Inhibition of CDKs represents a new approach for pharmacological intervention in the treatment of a variety of proliferative diseases, especially cancer. Based on the crystal structure of CDK2 in complex with an imidazole indolinone compound 1 (SU9516), lead optimization through modeling, synthesis, and SAR studies has led to the discovery of a novel series of pyrrolyllactone and pyrrolyllactam indolinones as potent CDK2 inhibitors. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00312-3

文献信息

• 3-(pyrolyllactone)-2-indolinone compounds as kinase inhibitors
  申请人：——

  公开号：US20020042427A1

  公开（公告）日：2002-04-11

  The invention relates to certain indolinone compounds, their method of synthesis, and a combinatorial library consisting of the indolinone compounds of the invention. The invention also relates to methods of modulating the function of protein kinases using indolinone compounds of the invention and methods of treating diseases by modulating the function of protein kinases and related signal transduction pathways.

  该发明涉及某些吲哚酮化合物，它们的合成方法，以及由该发明的吲哚酮化合物组成的组合库。该发明还涉及使用该发明的吲哚酮化合物调节蛋白激酶功能的方法，以及通过调节蛋白激酶功能和相关信号传导途径治疗疾病的方法。
• 3-(PYROLYLLACTONE)-2-INDOLINONE COMPOUNDS AS KINASE INHIBITORS
  申请人：Sugen, Inc.

  公开号：EP1259514B1

  公开（公告）日：2005-06-08
• US6465507B2
  申请人：——

  公开号：US6465507B2

  公开（公告）日：2002-10-15
• Novel pyrrolyllactone and pyrrolyllactam indolinones as potent cyclin-Dependent kinase 2 inhibitors
  作者：Xiaoyuan Li、Ping Huang、Jingrong Jean Cui、Jennifer Zhang、Cho Tang

  DOI：10.1016/s0960-894x(03)00312-3

  日期：2003.6

  Cyclin-dependent kinases (CDKs) are essential in the control of cell cycle progression. Inhibition of CDKs represents a new approach for pharmacological intervention in the treatment of a variety of proliferative diseases, especially cancer. Based on the crystal structure of CDK2 in complex with an imidazole indolinone compound 1 (SU9516), lead optimization through modeling, synthesis, and SAR studies has led to the discovery of a novel series of pyrrolyllactone and pyrrolyllactam indolinones as potent CDK2 inhibitors. (C) 2003 Elsevier Science Ltd. All rights reserved.