N-{3-[4-acetylamino-5-(benzylidene-hydrazinocarbonylmethylsulfanyl)-4H-[1,2,4] triazol-3-ylmethyl]-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl}-2-chloro-acetamide | 1310547-63-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: N-{3-[4-acetylamino-5-(benzylidene-hydrazinocarbonylmethylsulfanyl)-4H-[1,2,4] triazol-3-ylmethyl]-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl}-2-chloro-acetamide
• 英文别名: 2-[[4-acetamido-5-[[2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(benzylideneamino)acetamide
• CAS: 1310547-63-7
• 化学式: C₂₄H₂₆ClN₇O₃S₂
• 分子量: 560.101
• InChiKey: MHMOMLQYLUTCPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.32
• 重原子数：
  37.0
• 可旋转键数：
  10.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  130.37
• 氢给体数：
  3.0
• 氢受体数：
  9.0

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 0.02h， 生成 N-{3-[4-acetylamino-5-(benzylidene-hydrazinocarbonylmethylsulfanyl)-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

文献信息

• Studying synergism of methyl linked cyclohexyl thiophenes with triazole: Synthesis and their cdk5/p25 inhibition activity
  作者：Mahendra Shiradkar、John Thomas、Vanita Kanase、Rajendra Dighe

  DOI：10.1016/j.ejmech.2011.02.059

  日期：2011.6

  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.