tert-butyl N-[2-oxo-2-[[2-(1,3-thiazol-2-ylcarbamoyl)pyridin-3-yl]amino]ethyl]carbamate | 847987-06-8

• 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: tert-butyl N-[2-oxo-2-[[2-(1,3-thiazol-2-ylcarbamoyl)pyridin-3-yl]amino]ethyl]carbamate
• CAS: 847987-06-8
• 化学式: C₁₆H₁₉N₅O₄S
• 分子量: 377.424
• InChiKey: RNEBMIGQCCRRKY-UHFFFAOYSA-N

物化性质

• 密度：
  1.386±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  151
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[2-oxo-2-[[2-(1,3-thiazol-2-ylcarbamoyl)pyridin-3-yl]amino]ethyl]carbamate 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 生成
  参考文献：
  名称：

  Inhibitors of type I MetAPs containing pyridine-2-carboxylic acid thiazol-2-ylamide. Part 2: SAR studies on the pyridine ring 3-substituent

  摘要：

  Systematic SAR studies on the pyridine ring 3-substituent of PCAT, an inhibitor of EcMetAP1 and ScMetAP1, revealed that 3-substituents have different selectivity for EcMetAP1 and ScMetAP1. The selective inhibitors of type I MetAP are useful tools for investigating the detailed interactions between the enzymes and their inhibitors. In addition, these findings provide useful information for the design and discovery of more potent inhibitors of type I MetAPs. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.035
• 作为产物：
  描述：

  3-Amino-pyridine-2-carboxylic acid thiazol-2-ylamide 、 alkaline earth salt of/the/ methylsulfuric acid 生成 tert-butyl N-[2-oxo-2-[[2-(1,3-thiazol-2-ylcarbamoyl)pyridin-3-yl]amino]ethyl]carbamate
  参考文献：
  名称：

  Inhibitors of type I MetAPs containing pyridine-2-carboxylic acid thiazol-2-ylamide. Part 2: SAR studies on the pyridine ring 3-substituent

  摘要：

  Systematic SAR studies on the pyridine ring 3-substituent of PCAT, an inhibitor of EcMetAP1 and ScMetAP1, revealed that 3-substituents have different selectivity for EcMetAP1 and ScMetAP1. The selective inhibitors of type I MetAP are useful tools for investigating the detailed interactions between the enzymes and their inhibitors. In addition, these findings provide useful information for the design and discovery of more potent inhibitors of type I MetAPs. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.035