2-chloro-4-(2-fluoro-4-methylsulfonylphenylamino)-6,7-dimethoxyquinazoline | 1424336-77-5

• 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-chloro-4-(2-fluoro-4-methylsulfonylphenylamino)-6,7-dimethoxyquinazoline
• CAS: 1424336-77-5
• 化学式: C₁₇H₁₅ClFN₃O₄S
• 分子量: 411.841
• InChiKey: FPJFSOCHBHKJKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.59
• 重原子数：
  27.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  90.41
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  2-chloro-4-(2-fluoro-4-methylsulfonylphenylamino)-6,7-dimethoxyquinazoline 、 N-Boc-4-哌啶甲醇 在 sodium hydroxide 作用下， 以14%的产率得到Tert-butyl 4-[[4-(2-fluoro-4-methylsulfonylanilino)-6,7-dimethoxyquinazolin-2-yl]oxymethyl]piperidine-1-carboxylate
  参考文献：
  名称：

  Synthesis and biological evaluation of novel 2,4-disubstituted quinazoline analogues as GPR119 agonists

  摘要：

  GPR119 agonist has emerged as a promising target for the treatment of type 2 diabetes. A series of novel 2,4-disubstituted quinazoline analogues was prepared and evaluated their agonistic activity against human GPR119. The analogues bearing azabicyclic amine substituents (12a, 12c and 12g) exhibited better EC50 values than that of OEA though they appeared to be partial agonists. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2012.12.013
• 作为产物：
  描述：

  2-氟-4-(甲基磺酰基)苯胺 、 2,4-二氯-6,7-二甲氧基喹唑啉 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以75%的产率得到2-chloro-4-(2-fluoro-4-methylsulfonylphenylamino)-6,7-dimethoxyquinazoline
  参考文献：
  名称：

  Synthesis and biological evaluation of novel 2,4-disubstituted quinazoline analogues as GPR119 agonists

  摘要：

  GPR119 agonist has emerged as a promising target for the treatment of type 2 diabetes. A series of novel 2,4-disubstituted quinazoline analogues was prepared and evaluated their agonistic activity against human GPR119. The analogues bearing azabicyclic amine substituents (12a, 12c and 12g) exhibited better EC50 values than that of OEA though they appeared to be partial agonists. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2012.12.013