3-(4-((4-(4-chlorobenzamido)-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)thiazol-2-ylamino)propanoic acid | 933984-84-0

• 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-chlorobenzamido)-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)thiazol-2-ylamino)propanoic acid
• 英文别名: 3-[[4-[[4-[(4-chlorobenzoyl)amino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1,3-thiazol-2-yl]amino]propanoic acid
• CAS: 933984-84-0
• 化学式: C₁₆H₁₅ClN₆O₃S₂
• 分子量: 438.918
• InChiKey: VXYUPNCIMSOMFP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  179
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  3-[[4-[(4-Amino-5-sulfanyl-1,2,4-triazol-3-yl)methyl]thiazol-2-yl]amino]propanoic acid 、 4-氯苯甲酰氯 在 sodium hydroxide 作用下， 以69%的产率得到3-(4-((4-(4-chlorobenzamido)-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)thiazol-2-ylamino)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

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.