methyl 3-(5-{(Z)-[6-(4-hydroxy-3-methoxyphenyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]methyl}-2,4-dimethyl-1H-pyrrol-3-yl)propanoate

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: methyl 3-(5-{(Z)-[6-(4-hydroxy-3-methoxyphenyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]methyl}-2,4-dimethyl-1H-pyrrol-3-yl)propanoate
• 英文别名: methyl 3-(5-{[(3Z)-6-(4-hydroxy-3-methoxyphenyl)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-2,4-dimethyl-1H-pyrrol-3-yl)propanoate；methyl 3-[5-[(Z)-[6-(4-hydroxy-3-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoate
• 化学式: C₂₆H₂₆N₂O₅
• 分子量: 446.503
• InChiKey: AFVJIBSHCBMAMQ-MOSHPQCFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  101
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-硝基-4-溴苯乙酸 在 哌啶 、 四(三苯基膦)钯 、 硫酸 、 cesium fluoride 、 锌 作用下， 以 甲醇 为溶剂， 生成 methyl 3-(5-{(Z)-[6-(4-hydroxy-3-methoxyphenyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]methyl}-2,4-dimethyl-1H-pyrrol-3-yl)propanoate
  参考文献：
  名称：

  Synthesis and biological evaluation of 3-ethylidene-1,3-dihydro-indol-2-ones as novel checkpoint 1 inhibitors

  摘要：

  Chk1 inhibitors have emerged as a novel class of neoplastic agents for abrogating the G2 DNA damage checkpoint arrest. Analogs of the Chk1 inhibitor, 3-ethylidene-1,3-dihydro-indol-2-one, were synthesized and tested in vitro for their inhibitory activities. The most promising compound identified from this series is analog 28, which possesses potent enzymatic and cellular activities.

  DOI：

  10.1016/j.bmcl.2005.09.064

文献信息

• Protein kinase inhibitors
  申请人：——

  公开号：US20030162785A1

  公开（公告）日：2003-08-28

  Compounds having the formula 1 or therapeutically acceptable salts thereof, are protein kinase inhibitors. Preparation of the compounds, compositions containing the compounds, and treatment of diseases using the compounds are disclosed.

  具有公式1或其治疗上可接受的盐的化合物是蛋白激酶抑制剂。 揭示了该化合物的制备、含有该化合物的组合物以及使用该化合物治疗疾病。
• PROTEIN KINASE INHIBITORS
  申请人：Abbott Laboratories

  公开号：EP1453800A2

  公开（公告）日：2004-09-08
• US6797825B2
  申请人：——

  公开号：US6797825B2

  公开（公告）日：2004-09-28
• [EN] PROTEIN KINASE INHIBITORS<br/>[FR] INHIBITEURS DE LA PROTEINE KINASE
  申请人：ABBOTT LAB

  公开号：WO2003051838A2

  公开（公告）日：2003-06-26

  Compounds having the formula (I) or therapeutically acceptable salts thereof, are protein kinase inhibitors. Preparation of the compounds, compositions containing the compounds, and treatment of diseases using the compounds are disclosed.
• Synthesis and biological evaluation of 3-ethylidene-1,3-dihydro-indol-2-ones as novel checkpoint 1 inhibitors
  作者：Nan-Horng Lin、Ping Xia、Peter Kovar、Chang Park、Zehan Chen、Haiying Zhang、Saul H. Rosenberg、Hing L. Sham

  DOI：10.1016/j.bmcl.2005.09.064

  日期：2006.1

  Chk1 inhibitors have emerged as a novel class of neoplastic agents for abrogating the G2 DNA damage checkpoint arrest. Analogs of the Chk1 inhibitor, 3-ethylidene-1,3-dihydro-indol-2-one, were synthesized and tested in vitro for their inhibitory activities. The most promising compound identified from this series is analog 28, which possesses potent enzymatic and cellular activities.