1-(5-fluoro-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-(5-fluoro-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. 16g；1-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-4-one
• 化学式: C₁₆H₁₂FN₃O₂
• 分子量: 297.289
• InChiKey: RCFQBOZTAWITAW-WDZFZDKYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  74
• 氢给体数：
  3
• 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-(5-fluoro-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

• PYRROLO-NITROGENOUS HETEROCYCLIC DERIVATIES,THE PREPARATION AND THE PHARMCETICAL USE THEEOF
  申请人：ChoTang Peng Cho

  公开号：US20100075952A1

  公开（公告）日：2010-03-25

  The invention provides new pyrrolo-nitrogenous heterocyclic derivatives represented by formula (I) or their salts, the preparation thereof, pharmaceutical compositions containing such derivatives and the use of such derivatives as therapeutic agents, especially as protein kinase inhibitors, wherein each substituent in formula (I) is same as defined in the description.

  该发明提供了由式(I)表示的新的吡咯基氮杂环衍生物或其盐，其制备方法，含有这种衍生物的药物组合物以及将这种衍生物用作治疗剂，特别是蛋白激酶抑制剂的用途，其中式(I)中的每个取代基与描述中定义的相同。
• 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。
• Methods of Inhibiting the Catalytic Activity of a Protein Kinase and of Treating a Protein Kinase Related Disorder
  申请人：JIANGSU HANSOH PHARMACEUTICAL CO., LTD.

  公开号：US20130303518A1

  公开（公告）日：2013-11-14

  The invention provides a method of inhibiting the catalytic activity of a protein kinase comprising contacting said protein kinase with a compound of formula (I), or a pharmaceutically acceptable salt thereof, or a pharmaceutical composition containing the same, and also provides a method of treating a protein kinase related disorder comprising a step of administering to a patient in need thereof a therapeutically effective amount of the compound of formula (I) or a pharmaceutically acceptable salt thereof, or a pharmaceutical composition containing the same, wherein each substituent in formula (I) is same as defined in the description.

  本发明提供了一种抑制蛋白激酶催化活性的方法，包括将该蛋白激酶与式(I)的化合物或其药学上可接受的盐或含有该化合物的制剂接触。本发明还提供了一种治疗与蛋白激酶相关的疾病的方法，包括向需要治疗的患者施用式(I)的化合物或其药学上可接受的盐或含有该化合物的制剂的治疗有效量。式(I)中的每个取代基与说明书中定义的相同。
• 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