2-{[6-(1,4-diazepan-1-yl)pyrimidin-4-yl]amino}-1,3-thiazole-5-carbonitrile

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-{[6-(1,4-diazepan-1-yl)pyrimidin-4-yl]amino}-1,3-thiazole-5-carbonitrile
• 英文别名: 2-(6-(1,4-Diazepan-1-yl)pyrimidin-4-ylamino)thiazole-5-carbonitrile；2-[[6-(1,4-diazepan-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile
• 化学式: C₁₃H₁₅N₇S
• 分子量: 301.375
• InChiKey: BELRYHSQDZCWBA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  118
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-[(6-chloropyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile 、 高哌嗪 以 正丁醇 为溶剂， 生成 2-{[6-(1,4-diazepan-1-yl)pyrimidin-4-yl]amino}-1,3-thiazole-5-carbonitrile
  参考文献：
  名称：

  Potent 2-[(pyrimidin-4-yl)amine}-1,3-thiazole-5-carbonitrile-based inhibitors of VEGFR-2 (KDR) kinase

  摘要：

  Pyrimidino-thiazolyl carbonitriles were prepared that are potent VEGFR-2 (KDR) kinase inhibitors. The modification of lead structures resulted in 3m which exhibited the best overall profile in KDR inhibitory activity, iv/po pharmacokinetics, and reduced hERG affinity. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.089

文献信息

• Tyrosine kinase inhibitors
  申请人：——

  公开号：US20020137755A1

  公开（公告）日：2002-09-26

  The present invention relates to compounds which inhibit, regulate and/or modulate tyrosine kinase signal transduction, compositions which contain these compounds, and methods of using them to treat tyrosine kinase-dependent diseases and conditions, such as angiogenesis, cancer, tumor growth, atherosclerosis, age related macular degeneration, diabetic retinopathy, inflammatory diseases, and the like in mammals.

  本发明涉及抑制、调节和/或调控酪氨酸激酶信号传导的化合物，含有这些化合物的组合物，以及使用它们治疗依赖于酪氨酸激酶的疾病和病况的方法，如在哺乳动物中的血管生成、癌症、肿瘤生长、动脉粥样硬化、老年性黄斑变性、糖尿病视网膜病变、炎症性疾病等。
• Potent 2-[(pyrimidin-4-yl)amine}-1,3-thiazole-5-carbonitrile-based inhibitors of VEGFR-2 (KDR) kinase
  作者：John T. Sisko、Thomas J. Tucker、Mark T. Bilodeau、Carolyn A. Buser、Patrice A. Ciecko、Kathleen E. Coll、Christine Fernandes、Jackson B. Gibbs、Timothy J. Koester、Nancy Kohl、Joseph J. Lynch、Xianzhi Mao、Debra McLoughlin、Cynthia M. Miller-Stein、Leonard D. Rodman、Keith W. Rickert、Laura Sepp-Lorenzino、Jennifer M. Shipman、Kenneth A. Thomas、Bradley K. Wong、George D. Hartman

  DOI：10.1016/j.bmcl.2005.11.089

  日期：2006.3

  Pyrimidino-thiazolyl carbonitriles were prepared that are potent VEGFR-2 (KDR) kinase inhibitors. The modification of lead structures resulted in 3m which exhibited the best overall profile in KDR inhibitory activity, iv/po pharmacokinetics, and reduced hERG affinity. (C) 2005 Elsevier Ltd. All rights reserved.