4-(5-(5-tert-butyl-4H-1,2,4-triazol-3-yl)-2-methylphenylsulfonyl)morpholine | 1123297-02-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(5-(5-tert-butyl-4H-1,2,4-triazol-3-yl)-2-methylphenylsulfonyl)morpholine
• 英文别名: 4-[5-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-2-methylphenyl]sulfonylmorpholine
• CAS: 1123297-02-8
• 化学式: C₁₇H₂₄N₄O₃S
• 分子量: 364.469
• InChiKey: PNNVHYBJTSUCME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  96.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,2-二甲基丙酰肼 、 4-methyl-3-(morpholinosulfonyl)benzonitrile 在 potassium carbonate 作用下， 以 正丁醇 为溶剂， 生成 4-(5-(5-tert-butyl-4H-1,2,4-triazol-3-yl)-2-methylphenylsulfonyl)morpholine
  参考文献：
  名称：

  CB2 selective sulfamoyl benzamides: Optimization of the amide functionality

  摘要：

  Previous research within our laboratories identified sulfamoyl benzamides as novel cannabinoid receptor ligands. Optimization of the amide linkage led to the reverse amide 40. The compound exhibited robust antiallodynic activity in a rodent pain model when administered intraperitoneally. Efficacy after oral administration was observed only when ABT, a cytochrome P450 suicide inhibitor, was coadministered. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.091

文献信息

• CB2 selective sulfamoyl benzamides: Optimization of the amide functionality
  作者：Allan J. Goodman、Christopher W. Ajello、Karin Worm、Bertrand Le Bourdonnec、Markku A. Savolainen、Heather O’Hare、Joel A. Cassel、Gabriel J. Stabley、Robert N. DeHaven、Christopher J. LaBuda、Michael Koblish、Patrick J. Little、Bernice L. Brogdon、Steven A. Smith、Roland E. Dolle

  DOI：10.1016/j.bmcl.2008.11.091

  日期：2009.1

  Previous research within our laboratories identified sulfamoyl benzamides as novel cannabinoid receptor ligands. Optimization of the amide linkage led to the reverse amide 40. The compound exhibited robust antiallodynic activity in a rodent pain model when administered intraperitoneally. Efficacy after oral administration was observed only when ABT, a cytochrome P450 suicide inhibitor, was coadministered. (C) 2008 Elsevier Ltd. All rights reserved.