N-carbamimidoyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide;methanesulfonic acid | 1144520-69-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-carbamimidoyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide;methanesulfonic acid
• CAS: 1144520-69-3
• 化学式: CH₄O₃S*C₁₃H₁₄N₄O₂
• 分子量: 354.387
• InChiKey: MOZUNJRSTIULKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.88
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  170
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  甲烷磺酸 、 N-carbamimidoyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide 以 丙酮 为溶剂， 生成 N-carbamimidoyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide;methanesulfonic acid
  参考文献：
  名称：

  (2-Aryl-5-methylimidazol-4-ylcarbonyl)guanidines and (2-aryl-5-methyloxazol-4-ylcarbonyl)guanidines as NHE-1 inhibitors

  摘要：

  A series of (2-aryl-5-methylimidazol-4-ylcarbonyl)guanidines and (2-aryl-5-methyloxazol-4-ylcarbonyl)guanidines were synthesized and evaluated as NHE-1 inhibitors. The structure-activity relationships well matched those of furan derivatives, which were previously investigated. The (2,5-disubstituted) phenyl compounds showed better activities than the other analogues in both imidazole and oxazole compounds. Especially, 2-(2,5-dichlorophenyl)imidazole 52, and 2-(2-methoxy-5-chlorophenyl) imidazole 54 compounds exhibited potent cardioprotective efficacy both in vitro and in vivo as well as high NHE-1 inhibitory activities. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.01.060

文献信息

• (2-Aryl-5-methylimidazol-4-ylcarbonyl)guanidines and (2-aryl-5-methyloxazol-4-ylcarbonyl)guanidines as NHE-1 inhibitors
  作者：Sunkyung Lee、Kyu Yang Yi、Sung Jun Youn、Byung Ho Lee、Sung-eun Yoo

  DOI：10.1016/j.bmcl.2009.01.060

  日期：2009.3

  A series of (2-aryl-5-methylimidazol-4-ylcarbonyl)guanidines and (2-aryl-5-methyloxazol-4-ylcarbonyl)guanidines were synthesized and evaluated as NHE-1 inhibitors. The structure-activity relationships well matched those of furan derivatives, which were previously investigated. The (2,5-disubstituted) phenyl compounds showed better activities than the other analogues in both imidazole and oxazole compounds. Especially, 2-(2,5-dichlorophenyl)imidazole 52, and 2-(2-methoxy-5-chlorophenyl) imidazole 54 compounds exhibited potent cardioprotective efficacy both in vitro and in vivo as well as high NHE-1 inhibitory activities. (C) 2009 Elsevier Ltd. All rights reserved.