3-(2-Methylsulfanyl-phenyl)-prop-2-ynylamine | 851902-36-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 3-(2-Methylsulfanyl-phenyl)-prop-2-ynylamine
• 英文别名: 3-(2-Methylsulfanylphenyl)prop-2-yn-1-amine；3-(2-methylsulfanylphenyl)prop-2-yn-1-amine
• CAS: 851902-36-8
• 化学式: C₁₀H₁₁NS
• 分子量: 177.27
• InChiKey: NEBCKRSTJXMAKW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.72
• 重原子数：
  12.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  26.02
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  3-(2-Methylsulfanyl-phenyl)-prop-2-ynylamine 在 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 N,N-二异丙基乙胺 、 间氯过氧苯甲酸 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Novel cyclopentane dicarboxamide sodium channel blockers as a potential treatment for chronic pain

  摘要：

  A series of new voltage-gated sodium channel blockers were prepared based on the screening lead succinic diamide BPBTS. Replacement of the succinimide linker with the more rigid cyclic 1,2-trans-diamide linker was well tolerated. N-Methylation on the biphenylsulfonamide side of the amide moiety significantly reduced the clearance rate in rat pharmacokinetic studies. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.02.002
• 作为产物：
  描述：

  2-碘茴香硫醚 、 炔丙胺 在 sodium carbonate 四氢吡咯 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 copper(l) iodide 作用下， 以 四氢呋喃 为溶剂， 反应 1.5h， 以71%的产率得到3-(2-Methylsulfanyl-phenyl)-prop-2-ynylamine
  参考文献：
  名称：

  Novel cyclopentane dicarboxamide sodium channel blockers as a potential treatment for chronic pain

  摘要：

  A series of new voltage-gated sodium channel blockers were prepared based on the screening lead succinic diamide BPBTS. Replacement of the succinimide linker with the more rigid cyclic 1,2-trans-diamide linker was well tolerated. N-Methylation on the biphenylsulfonamide side of the amide moiety significantly reduced the clearance rate in rat pharmacokinetic studies. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.02.002

文献信息

• Novel cyclopentane dicarboxamide sodium channel blockers as a potential treatment for chronic pain
  作者：Pengchang P. Shao、Dong Ok、Michael H. Fisher、Maria L. Garcia、Gregory J. Kaczorowski、Chunshi Li、Kathryn A. Lyons、William J. Martin、Peter T. Meinke、Birgit T. Priest、McHardy M. Smith、Matthew J. Wyvratt、Feng Ye、William H. Parsons

  DOI：10.1016/j.bmcl.2005.02.002

  日期：2005.4

  A series of new voltage-gated sodium channel blockers were prepared based on the screening lead succinic diamide BPBTS. Replacement of the succinimide linker with the more rigid cyclic 1,2-trans-diamide linker was well tolerated. N-Methylation on the biphenylsulfonamide side of the amide moiety significantly reduced the clearance rate in rat pharmacokinetic studies. (c) 2005 Elsevier Ltd. All rights reserved.