2-(4-chlorophenylsulfonyl)-2-methyl-N-(5-o-tolyl-1,3,4-thiadiazol-2-yl)propanamide | 1117877-47-0

• 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: 2-(4-chlorophenylsulfonyl)-2-methyl-N-(5-o-tolyl-1,3,4-thiadiazol-2-yl)propanamide
• 英文别名: 2-(4-chlorophenyl)sulfonyl-2-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
• CAS: 1117877-47-0
• 化学式: C₁₉H₁₈ClN₃O₃S₂
• 分子量: 435.955
• InChiKey: XTRAKSRSUMWOJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  126
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-(4-chloro-benzenesulfonyl)-2-methyl-propionic acid 、 2-氨基-5-(邻甲苯)-1,3,4-噻二唑 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 17.0h， 生成 2-(4-chlorophenylsulfonyl)-2-methyl-N-(5-o-tolyl-1,3,4-thiadiazol-2-yl)propanamide
  参考文献：
  名称：

  Discovery of α-amidosulfones as potent and selective agonists of CB2: Synthesis, SAR, and pharmacokinetic properties

  摘要：

  A series of alpha-amidosulfones were found to be potent and selective agonists of CB2. The discovery, synthesis, and structure-activity relationships of this series of agonists are reported. In addition, the pharmacokinetic properties of the most promising compounds are profiled. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.026

文献信息

• Discovery of α-amidosulfones as potent and selective agonists of CB2: Synthesis, SAR, and pharmacokinetic properties
  作者：Isaac E. Marx、Erin F. DiMauro、Alan Cheng、Renee Emkey、Stephen A. Hitchcock、Liyue Huang、Ming Y. Huang、Jason Human、Josie H. Lee、Xingwen Li、Matthew W. Martin、Ryan D. White、Robert T. Fremeau、Vinod F. Patel

  DOI：10.1016/j.bmcl.2008.11.026

  日期：2009.1

  A series of alpha-amidosulfones were found to be potent and selective agonists of CB2. The discovery, synthesis, and structure-activity relationships of this series of agonists are reported. In addition, the pharmacokinetic properties of the most promising compounds are profiled. (C) 2008 Elsevier Ltd. All rights reserved.