N-[4-(1-aminopropyl)phenyl]methanesulfonamide | 694529-54-9

• 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-aminopropyl)phenyl]methanesulfonamide
• CAS: 694529-54-9
• 化学式: C₁₀H₁₆N₂O₂S
• 分子量: 228.315
• InChiKey: CLOHHOVDNNZMPI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  80.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-叔-丁基苄基异硫氰酸酯 、 N-[4-(1-aminopropyl)phenyl]methanesulfonamide 以 四氢呋喃 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 palladium on activated charcoal 盐酸 、 三氯化铝 、 氢气 、 羟胺 、 sodium acetate 作用下， 以 甲醇 、 1,2-二氯乙烷 为溶剂， 生成 N-[4-(1-aminopropyl)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

文献信息

• Chain-branched 1,3-dibenzylthioureas as vanilloid receptor 1 antagonists
  作者：Chong Hyun Ryu、Mi Jung Jang、Jeong Wha Jung、Ju-Hyun Park、Hye Young Choi、Young-ger Suh、Uhtaek Oh、Hyeung-geun Park、Jeewoo Lee、Hyun-Joo Koh、Joo-Hyun Mo、Yung Hyup Joo、Young-Ho Park、Hee-Doo Kim

  DOI：10.1016/j.bmcl.2004.01.066

  日期：2004.4

  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.