2-(6-chloro-4-oxoquinazolin-3-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide | 1428662-94-5

• 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-(6-chloro-4-oxoquinazolin-3-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
• CAS: 1428662-94-5
• 化学式: C₂₀H₂₁ClN₄O₂S
• 分子量: 416.931
• InChiKey: HVKYOUMNZBBQOQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  103
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-amino-5-chloro-N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]benzamide 、 原甲酸三乙酯 在 三乙胺 作用下， 生成 2-(6-chloro-4-oxoquinazolin-3-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
  参考文献：
  名称：

  Design, synthesis and SAR of novel glucokinase activators

  摘要：

  Guided by co-crystal structures of compounds 15, 22 and 30, an SBDD approach led to the discovery of the 6-methyl pyridone series as a novel class of GKAs that potently activate GK in enzyme and cell assays. Anti-diabetic OGTT efficacy was demonstrated with 54 in a mouse model of type 2 diabetes. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.01.093

文献信息

• Design, synthesis and SAR of novel glucokinase activators
  作者：Zacharia S. Cheruvallath、Stephen L. Gwaltney、Mark Sabat、Mingnam Tang、Jun Feng、Haixia Wang、Joanne Miura、Prasuna Guntupalli、Andy Jennings、David Hosfield、Bumsup Lee、Yiqin Wu

  DOI：10.1016/j.bmcl.2013.01.093

  日期：2013.4

  Guided by co-crystal structures of compounds 15, 22 and 30, an SBDD approach led to the discovery of the 6-methyl pyridone series as a novel class of GKAs that potently activate GK in enzyme and cell assays. Anti-diabetic OGTT efficacy was demonstrated with 54 in a mouse model of type 2 diabetes. (C) 2013 Elsevier Ltd. All rights reserved.