1-[3-(Dimethylsulfamoyl)-4-methylphenyl]-3-(4-methoxyphenyl)urea | 1450730-07-0

• 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: 1-[3-(Dimethylsulfamoyl)-4-methylphenyl]-3-(4-methoxyphenyl)urea
• 英文别名: 1-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-(4-methoxyphenyl)urea
• CAS: 1450730-07-0
• 化学式: C₁₇H₂₁N₃O₄S
• 分子量: 363.437
• InChiKey: IWBPXSNYJYEDGQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  96.1
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5-氨基-2,N,N-三甲基-苯磺酰胺 、 对甲氧基苯异氰酸酯 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 1-[3-(Dimethylsulfamoyl)-4-methylphenyl]-3-(4-methoxyphenyl)urea
  参考文献：
  名称：

  Discovery and SAR of a novel series of GIRK1/2 and GIRK1/4 activators

  摘要：

  This Letter describes a novel series of GIRK activators identified through an HTS campaign. The HTS lead was a potent and efficacious dual GIRK1/2 and GIRK1/4 activator. Further chemical optimization through both iterative parallel synthesis and fragment library efforts identified dual GIRK1/2 and GIRK1/4 activators as well as the first examples of selective GIRK1/4 activators. Importantly, these compounds were inactive on GIRK2 and other non-GIRK1 containing GIRK channels, and SAR proved shallow. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.07.002

文献信息

• Discovery and SAR of a novel series of GIRK1/2 and GIRK1/4 activators
  作者：Susan J. Ramos-Hunter、Darren W. Engers、Kristian Kaufmann、Yu Du、Craig W. Lindsley、C. David Weaver、Gary A. Sulikowski

  DOI：10.1016/j.bmcl.2013.07.002

  日期：2013.9

  This Letter describes a novel series of GIRK activators identified through an HTS campaign. The HTS lead was a potent and efficacious dual GIRK1/2 and GIRK1/4 activator. Further chemical optimization through both iterative parallel synthesis and fragment library efforts identified dual GIRK1/2 and GIRK1/4 activators as well as the first examples of selective GIRK1/4 activators. Importantly, these compounds were inactive on GIRK2 and other non-GIRK1 containing GIRK channels, and SAR proved shallow. (C) 2013 Elsevier Ltd. All rights reserved.