N-[3-(4-acetylamino-5-{2-[N'-(2-chloro-acetyl)-hydrazino]-2-oxo-ethylsulfanyl}-4H-[1,2,4]triazol-3-ylmethyl)-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl]-2-chloro-acetamide | 1310547-26-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-[3-(4-acetylamino-5-{2-[N'-(2-chloro-acetyl)-hydrazino]-2-oxo-ethylsulfanyl}-4H-[1,2,4]triazol-3-ylmethyl)-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl]-2-chloro-acetamide
• 英文别名: N-[3-[[4-acetamido-5-[2-[2-(2-chloroacetyl)hydrazinyl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-chloroacetamide
• CAS: 1310547-26-2
• 化学式: C₁₉H₂₃Cl₂N₇O₄S₂
• 分子量: 548.474
• InChiKey: CGTXNUPYOHWTIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  201
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  potassium;N-[[2-[2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]acetyl]amino]carbamodithioate 在 aluminum oxide 、 一水合肼 、 sodium hydroxide 作用下， 反应 0.42h， 生成 N-[3-(4-acetylamino-5-{2-[N'-(2-chloro-acetyl)-hydrazino]-2-oxo-ethylsulfanyl}-4H-[1,2,4]triazol-3-ylmethyl)-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl]-2-chloro-acetamide
  参考文献：
  名称：

  Studying synergism of methyl linked cyclohexyl thiophenes with triazole: Synthesis and their cdk5/p25 inhibition activity

  摘要：

  A novel clubbed triazolyl thiophene series of cdk5/p25 inhibitors, potentially useful for the treatment of Alzheimer's disease, is disclosed. Evaluation of the SAR of substitution within these series has allowed the identification of a range of compounds which significantly reduce brain cdk5/p25 and thus have potential as possible treatments for Alzheimer's disease. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.02.059