3-{4-[4-(4-chloro-benzoylamino)-5-hydrazinocarbonylmethylsulfanyl-4H-[1,2,4]triazol-3-ylmethyl]-thiazol-2-ylamino}-propionic acid | 933985-32-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3-{4-[4-(4-chloro-benzoylamino)-5-hydrazinocarbonylmethylsulfanyl-4H-[1,2,4]triazol-3-ylmethyl]-thiazol-2-ylamino}-propionic acid
• 英文别名: 3-[[4-[[4-[(4-chlorobenzoyl)amino]-5-(2-hydrazinyl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-thiazol-2-yl]amino]propanoic acid
• CAS: 933985-32-1
• 化学式: C₁₈H₁₉ClN₈O₄S₂
• 分子量: 510.985
• InChiKey: QYCAOWUXVAQWNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  33
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  231
• 氢给体数：
  5
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  3-{4-[4-(4-chloro-benzoylamino)-5-hydrazinocarbonylmethylsulfanyl-4H-[1,2,4]triazol-3-ylmethyl]-thiazol-2-ylamino}-propionic acid 、 二硫化碳 在 氢氧化钾 、 aluminum oxide 、 一水合肼 作用下， 以 乙醇 为溶剂， 反应 16.0h， 以77%的产率得到3-[[4-[[5-[(4-Amino-5-sulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]-4-[(4-chlorobenzoyl)amino]-1,2,4-triazol-3-yl]methyl]thiazol-2-yl]amino]propanoic acid
  参考文献：
  名称：

  Clubbed thiazoles by MAOS: A novel approach to cyclin-dependent kinase 5/p25 inhibitors as a potential treatment for Alzheimer’s disease

  摘要：

  A novel clubbed triazolyl thiazole 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) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.01.043
• 作为产物：
  描述：

  3-(4-((4-(4-chlorobenzamido)-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)thiazol-2-ylamino)propanoic acid 在 aluminum oxide 、 sodium hydroxide 、 一水合肼 作用下， 生成 3-{4-[4-(4-chloro-benzoylamino)-5-hydrazinocarbonylmethylsulfanyl-4H-[1,2,4]triazol-3-ylmethyl]-thiazol-2-ylamino}-propionic acid
  参考文献：
  名称：

  Clubbed thiazoles by MAOS: A novel approach to cyclin-dependent kinase 5/p25 inhibitors as a potential treatment for Alzheimer’s disease

  摘要：

  A novel clubbed triazolyl thiazole 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) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.01.043

文献信息

• Clubbed thiazoles by MAOS: A novel approach to cyclin-dependent kinase 5/p25 inhibitors as a potential treatment for Alzheimer’s disease
  作者：Mahendra Ramesh Shiradkar、Kalyan Chakravarthy Akula、Varaprasad Dasari、Vijayakumar Baru、Bhoomeshwar Chiningiri、Santosh Gandhi、Ranjit Kaur

  DOI：10.1016/j.bmc.2007.01.043

  日期：2007.4

  A novel clubbed triazolyl thiazole 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) 2007 Elsevier Ltd. All rights reserved.