3-[4-(5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-indole-5-carboxylic acid methyl ester | 345265-22-7

• 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-[4-(5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-indole-5-carboxylic acid methyl ester
• 英文别名: methyl 3-[4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2,5-dioxopyrrol-3-yl]-1H-indole-5-carboxylate
• CAS: 345265-22-7
• 化学式: C₂₅H₁₉N₃O₄
• 分子量: 425.444
• InChiKey: CKDVMBRHSMQUKO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  93.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-[4-(5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-indole-5-carboxylic acid methyl ester 在 palladium diacetate 作用下， 以 溶剂黄146 为溶剂， 生成 3-(methoxycarbonyl)-11H, 12H, 14H-pyrrolo[3,4-c]-quinolino[8',8a',1':3,2,1]pyrrolo[2,3-a]carbazole-5,7-dione
  参考文献：
  名称：

  1,7-Annulated indolocarbazoles as cyclin-dependent kinase inhibitors

  摘要：

  The synthesis and kinase inhibitory activity of a series of novel 1,7-annulated indolocarbazoles 6 and 16 is described. These compounds exhibited potent inhibitory activity against cyclin-dependent kinase 4 and good antiproliferative activity in a human colon carcinoma cell line. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.03.105
• 作为产物：
  描述：

  2-(5,6-二氢-4H-吡咯并[3,2,1-IJ]喹啉-1-基)-2-氧代乙酸甲酯 在 盐酸 、 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 生成 3-[4-(5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-indole-5-carboxylic acid methyl ester
  参考文献：
  名称：

  1,7-Annulated indolocarbazoles as cyclin-dependent kinase inhibitors

  摘要：

  The synthesis and kinase inhibitory activity of a series of novel 1,7-annulated indolocarbazoles 6 and 16 is described. These compounds exhibited potent inhibitory activity against cyclin-dependent kinase 4 and good antiproliferative activity in a human colon carcinoma cell line. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.03.105

文献信息

• Agents and methods for the treatment of proliferative diseases
  申请人：——

  公开号：US20030229026A1

  公开（公告）日：2003-12-11

  The present invention provides selective kinase inhibitors of formula (I). 1

  这项发明提供了式（I）的选择性激酶抑制剂。
• US6867198B2
  申请人：——

  公开号：US6867198B2

  公开（公告）日：2005-03-15
• 1,7-Annulated indolocarbazoles as cyclin-dependent kinase inhibitors
  作者：Rima S. Al-awar、James E. Ray、Kyle A. Hecker、Jianping Huang、Philip P. Waid、Chuan Shih、Harold B. Brooks、Charles D. Spencer、Scott A. Watkins、Bharvin R. Patel、Nancy B. Stamm、Catherine A. Ogg、Richard M. Schultz、Eileen L. Considine、Margaret M. Faul、Kevin A. Sullivan、Stanley P. Kolis、John L. Grutsch、Sajan Joseph

  DOI：10.1016/j.bmcl.2004.03.105

  日期：2004.6

  The synthesis and kinase inhibitory activity of a series of novel 1,7-annulated indolocarbazoles 6 and 16 is described. These compounds exhibited potent inhibitory activity against cyclin-dependent kinase 4 and good antiproliferative activity in a human colon carcinoma cell line. (C) 2004 Elsevier Ltd. All rights reserved.