2-cyano-N-(2,6-dimethyl-4-oxoquinazolin-3(4H)-yl)acetamide | 1382052-05-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-cyano-N-(2,6-dimethyl-4-oxoquinazolin-3(4H)-yl)acetamide
• 英文别名: 2,6-dimethyl-3-(2-cyanoacetylamino)quinazoline-4(3H)-one；2-cyano-N-(2,6-dimethyl-4-oxoquinazolin-3-yl)acetamide
• CAS: 1382052-05-2
• 化学式: C₁₃H₁₂N₄O₂
• 分子量: 256.264
• InChiKey: STQLOJAROVSHKB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  85.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-cyano-N-(2,6-dimethyl-4-oxoquinazolin-3(4H)-yl)acetamide 在 哌啶 、 三乙胺 作用下， 以 1,4-二氧六环 为溶剂， 反应 9.0h， 生成 6-amino-1-(2,6-dimethyl-4-oxoquinazolin-3(4H)-yl)-2-oxo-4-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile
  参考文献：
  名称：

  Quinazoline–tyrphostin as a new class of antitumor agents, molecular properties prediction, synthesis and biological testing

  摘要：

  A new series of substituted quinazolin-4-(3H)-one-tyrphostin derivatives was prepared and screened for their cytotoxic activity against three tumor cell lines, namely human breast cancer cell line (MCF-7), human cervical cancer cell line (HeLa) and human hepatocellular liver carcinoma cell line (HepG2) using the colorimetric MTT assay. Among the current series, 10 compounds exhibited remarkable in vitro antiproliferative activity against the three tested cell lines with the IC50 values ranging from 0.009 to 0.015 mM. All the compounds showed suitable drug like characteristics according to Lipinski's rule. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.03.044
• 作为产物：
  描述：

  2-氨基-5-甲基苯甲酸 在 一水合肼 作用下， 生成 2-cyano-N-(2,6-dimethyl-4-oxoquinazolin-3(4H)-yl)acetamide
  参考文献：
  名称：

  Quinazoline–tyrphostin as a new class of antitumor agents, molecular properties prediction, synthesis and biological testing

  摘要：

  A new series of substituted quinazolin-4-(3H)-one-tyrphostin derivatives was prepared and screened for their cytotoxic activity against three tumor cell lines, namely human breast cancer cell line (MCF-7), human cervical cancer cell line (HeLa) and human hepatocellular liver carcinoma cell line (HepG2) using the colorimetric MTT assay. Among the current series, 10 compounds exhibited remarkable in vitro antiproliferative activity against the three tested cell lines with the IC50 values ranging from 0.009 to 0.015 mM. All the compounds showed suitable drug like characteristics according to Lipinski's rule. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.03.044

文献信息

• Quinazoline–tyrphostin as a new class of antitumor agents, molecular properties prediction, synthesis and biological testing
  作者：Ahmed M. Alafeefy、Saleh I. Alqasoumi、Abdelkader E. Ashour、Vijay Masand、Nabila A. Al-Jaber、Taibi Ben Hadda、Menshawy A. Mohamed

  DOI：10.1016/j.ejmech.2012.03.044

  日期：2012.7

  A new series of substituted quinazolin-4-(3H)-one-tyrphostin derivatives was prepared and screened for their cytotoxic activity against three tumor cell lines, namely human breast cancer cell line (MCF-7), human cervical cancer cell line (HeLa) and human hepatocellular liver carcinoma cell line (HepG2) using the colorimetric MTT assay. Among the current series, 10 compounds exhibited remarkable in vitro antiproliferative activity against the three tested cell lines with the IC50 values ranging from 0.009 to 0.015 mM. All the compounds showed suitable drug like characteristics according to Lipinski's rule. (C) 2012 Elsevier Masson SAS. All rights reserved.