N7-(3-chloro-4-fluorophenyl)-N2-(4-(pyrrolidin-1-ylmethyl)phenyl)thiazolo[4,5-d]pyrimidine-2,7-diamine | 925242-60-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N7-(3-chloro-4-fluorophenyl)-N2-(4-(pyrrolidin-1-ylmethyl)phenyl)thiazolo[4,5-d]pyrimidine-2,7-diamine
• 英文别名: 7-N-(3-chloro-4-fluorophenyl)-2-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine
• CAS: 925242-60-0
• 化学式: C₂₂H₂₀ClFN₆S
• 分子量: 454.958
• InChiKey: OZKNISAADTWAGZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  94.2
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1-对氨基苄基吡咯烷 、 以 溶剂黄146 为溶剂， 反应 4.0h， 生成 N7-(3-chloro-4-fluorophenyl)-N2-(4-(pyrrolidin-1-ylmethyl)phenyl)thiazolo[4,5-d]pyrimidine-2,7-diamine
  参考文献：
  名称：

  Synthesis and evaluation of 2,7-diamino-thiazolo[4,5-d] pyrimidine analogues as anti-tumor epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors

  摘要：

  2,7-Diamino-thiazolo[4,5-d]pyrimidine analogues were synthesized as novel epidermal growth factor receptor ( EGFR) tyrosine kinase inhibitors. Representative compounds showed potent and selective EGFR inhibitory activities and inhibited in vitro cellular proliferation in EGFR-overexpressing human tumor cells. The synthesis and preliminary biological, physical, and pharmacokinetic evaluation of these thiazolopyrimidine compounds are reported. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.067

文献信息

• Thiazolopyrimidine kinase inhibitors
  申请人：Binnun Eva

  公开号：US20070185139A1

  公开（公告）日：2007-08-09

  The present invention is directed to novel thiazolopyrimidine compounds of Formula (I) or a form or composition thereof and the thereof as inhibitors of ATP-protein kinase interactions.

  本发明涉及公式（I）的新型噻唑嘧啶化合物，或其形式或组合物，以及它们作为ATP-蛋白激酶相互作用抑制剂的应用。
• US7605154B2
  申请人：——

  公开号：US7605154B2

  公开（公告）日：2009-10-20
• Synthesis and evaluation of 2,7-diamino-thiazolo[4,5-d] pyrimidine analogues as anti-tumor epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors
  作者：Ronghui Lin、Sigmond G. Johnson、Peter J. Connolly、Steven K. Wetter、Eva Binnun、Terry V. Hughes、William V. Murray、Niranjan B. Pandey、Sandra J. Moreno-Mazza、Mary Adams、Angel R. Fuentes-Pesquera、Steven A. Middleton

  DOI：10.1016/j.bmcl.2009.02.067

  日期：2009.4

  2,7-Diamino-thiazolo[4,5-d]pyrimidine analogues were synthesized as novel epidermal growth factor receptor ( EGFR) tyrosine kinase inhibitors. Representative compounds showed potent and selective EGFR inhibitory activities and inhibited in vitro cellular proliferation in EGFR-overexpressing human tumor cells. The synthesis and preliminary biological, physical, and pharmacokinetic evaluation of these thiazolopyrimidine compounds are reported. (C) 2009 Elsevier Ltd. All rights reserved.