(3,5-二乙氧基苯基)乙腈 | 198623-57-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (3,5-二乙氧基苯基)乙腈
• 英文名称: diethyl 5-(cyanomethyl)benzene-1,3-dioate
• 英文别名: (3,5-Diethoxyphenyl)acetonitrile；2-(3,5-diethoxyphenyl)acetonitrile
• CAS: 198623-57-3
• 化学式: C₁₂H₁₅NO₂
• 分子量: 205.257
• InChiKey: WUHRWZXXDBFSOD-UHFFFAOYSA-N

物化性质

• 沸点：
  343.4±27.0 °C(Predicted)
• 密度：
  1.043±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  42.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (3,5-二乙氧基苯基)乙腈 在 sodium hydride 作用下， 以 乙二醇乙醚 为溶剂， 反应 1.0h， 生成 1-[2-Amino-6-(3,5-diethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
  参考文献：
  名称：

  Discovery and structure-activity studies of a novel series of pyrido[2,3-d]pyrimidine tyrosine kinase inhibitors

  摘要：

  The inhibition of tyrosine kinase-mediated signal transduction pathways represents a therapeutic approach to the intervention of proliferative diseases such as cancer, atherosclerosis, and restenosis. A novel series of pyrido[2,3-d]pyrimidine inhibitors of the PDGFr, bFGFr, and c-Src tyrosine kinases was developed from compound library screening and lead optimization.(1) In addition, highly selective inhibitors of the FGFr tyrosine kinase were also discovered and developed from this novel series of pyrido[2,3-d]pyrimidines. The syntheses, biological evaluation, and structure-activity relationships of this series are reported. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00445-9
• 作为产物：
  描述：

  3,5-二乙氧基苯甲酸甲酯 在 lithium aluminium tetrahydride 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 生成 (3,5-二乙氧基苯基)乙腈
  参考文献：
  名称：

  Discovery and structure-activity studies of a novel series of pyrido[2,3-d]pyrimidine tyrosine kinase inhibitors

  摘要：

  The inhibition of tyrosine kinase-mediated signal transduction pathways represents a therapeutic approach to the intervention of proliferative diseases such as cancer, atherosclerosis, and restenosis. A novel series of pyrido[2,3-d]pyrimidine inhibitors of the PDGFr, bFGFr, and c-Src tyrosine kinases was developed from compound library screening and lead optimization.(1) In addition, highly selective inhibitors of the FGFr tyrosine kinase were also discovered and developed from this novel series of pyrido[2,3-d]pyrimidines. The syntheses, biological evaluation, and structure-activity relationships of this series are reported. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00445-9

文献信息

• WO2006/55434
  申请人：——

  公开号：——

  公开（公告）日：——
• Discovery and structure-activity studies of a novel series of pyrido[2,3-d]pyrimidine tyrosine kinase inhibitors
  作者：Cleo J.C. Connolly、James M. Hamby、Mel C. Schroeder、Mark Barvian、Gina H. Lu、Robert L. Panek、Aneesa Amar、Cindy Shen、Alan J. Kraker、David W. Fry、Wayne D. Klohs、Annette M. Doherty

  DOI：10.1016/s0960-894x(97)00445-9

  日期：1997.9

  The inhibition of tyrosine kinase-mediated signal transduction pathways represents a therapeutic approach to the intervention of proliferative diseases such as cancer, atherosclerosis, and restenosis. A novel series of pyrido[2,3-d]pyrimidine inhibitors of the PDGFr, bFGFr, and c-Src tyrosine kinases was developed from compound library screening and lead optimization.(1) In addition, highly selective inhibitors of the FGFr tyrosine kinase were also discovered and developed from this novel series of pyrido[2,3-d]pyrimidines. The syntheses, biological evaluation, and structure-activity relationships of this series are reported. (C) 1997 Elsevier Science Ltd.