2-hydrazineyl-N-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)-2-oxoacetamide | 892491-56-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2-hydrazineyl-N-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)-2-oxoacetamide
• CAS: 892491-56-4
• 化学式: C₁₂H₁₈N₆O₂
• 分子量: 278.314
• InChiKey: OUNGJFXAXDYURV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.24
• 重原子数：
  20.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  103.59
• 氢给体数：
  3.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2-hydrazineyl-N-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)-2-oxoacetamide 、 异硫氰酸(2-氟苯)酯 在 polymer-supported carbodiimide 作用下， 生成 5-[(2-fluorophenyl)amino]-N-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide
  参考文献：
  名称：

  Identification, optimisation and in vivo evaluation of oxadiazole DGAT-1 inhibitors for the treatment of obesity and diabetes

  摘要：

  A novel series of DGAT-1 inhibitors was discovered from an oxadiazole amide high throughput screening (HTS) hit. Optimisation of potency and ligand lipophilicity efficiency (LLE) resulted in a carboxylic acid containing clinical candidate 53 (AZD3988), which demonstrated excellent DGAT-1 potency (0.6 nM), good pharmacokinetics and pre-clinical in vivo efficacy that could be rationalised through a PK/PD relationship. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.04.117
• 作为产物：
  描述：

  5-氨基-2-(4-甲基-1-哌嗪基)吡啶 在 吡啶 、 肼 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成 2-hydrazineyl-N-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)-2-oxoacetamide
  参考文献：
  名称：

  Identification, optimisation and in vivo evaluation of oxadiazole DGAT-1 inhibitors for the treatment of obesity and diabetes

  摘要：

  A novel series of DGAT-1 inhibitors was discovered from an oxadiazole amide high throughput screening (HTS) hit. Optimisation of potency and ligand lipophilicity efficiency (LLE) resulted in a carboxylic acid containing clinical candidate 53 (AZD3988), which demonstrated excellent DGAT-1 potency (0.6 nM), good pharmacokinetics and pre-clinical in vivo efficacy that could be rationalised through a PK/PD relationship. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.04.117