N-(4-{1-[(E)-Hydroxyimino]-propyl}-phenyl)-methanesulfonamide | 694529-45-8

• 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: N-(4-{1-[(E)-Hydroxyimino]-propyl}-phenyl)-methanesulfonamide
• CAS: 694529-45-8
• 化学式: C₁₀H₁₄N₂O₃S
• 分子量: 242.299
• InChiKey: KXKPCYCFWSGTSP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.65
• 重原子数：
  16.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  78.76
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  N-(4-{1-[(E)-Hydroxyimino]-propyl}-phenyl)-methanesulfonamide 在 palladium on activated charcoal 氢气 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 1-[(4-Tert-butylphenyl)methyl]-3-[1-[4-(methanesulfonamido)phenyl]propyl]thiourea
  参考文献：
  名称：

  Chain-branched 1,3-dibenzylthioureas as vanilloid receptor 1 antagonists

  摘要：

  A series of chain-branched 1,3-dibenzylthiourea derivatives were synthesized, and tested their antagonist activity against vanilloid receptor 1. Chain-branching led to a significant change in the mode of action and the potency. (R)-Methyl or ethyl-branched 1,3-dibenzylthiourea derivatives showed the most potent antagonist activity up to the IC50 value of 0.05 muM which is 10-fold more potent than capsazepine. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.01.066
• 作为产物：
  描述：

  N-苯基甲磺酰胺 在 盐酸 、 三氯化铝 、 羟胺 、 sodium acetate 作用下， 以 1,2-二氯乙烷 为溶剂， 生成 N-(4-{1-[(E)-Hydroxyimino]-propyl}-phenyl)-methanesulfonamide
  参考文献：
  名称：

  Chain-branched 1,3-dibenzylthioureas as vanilloid receptor 1 antagonists

  摘要：

  A series of chain-branched 1,3-dibenzylthiourea derivatives were synthesized, and tested their antagonist activity against vanilloid receptor 1. Chain-branching led to a significant change in the mode of action and the potency. (R)-Methyl or ethyl-branched 1,3-dibenzylthiourea derivatives showed the most potent antagonist activity up to the IC50 value of 0.05 muM which is 10-fold more potent than capsazepine. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.01.066