methyl {[4-(4-acetylpiperazin-1-yl)phenyl]amino}(oxo)acetate | 892491-29-1

• 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: methyl {[4-(4-acetylpiperazin-1-yl)phenyl]amino}(oxo)acetate
• 英文别名: Methyl 2-(4-(4-acetylpiperazin-1-yl)phenylamino)-2-oxoacetate；methyl 2-[4-(4-acetylpiperazin-1-yl)anilino]-2-oxoacetate
• CAS: 892491-29-1
• 化学式: C₁₅H₁₉N₃O₄
• 分子量: 305.334
• InChiKey: OASDCPZOMCCKDS-UHFFFAOYSA-N

物化性质

• 密度：
  1.287±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  79
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl {[4-(4-acetylpiperazin-1-yl)phenyl]amino}(oxo)acetate 在 肼 作用下， 以 乙醇 为溶剂， 生成 N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-hydrazino-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
• 作为产物：
  描述：

  甲基戊酰氯 、 1-乙酰基-4-(4-氨基苯基)哌嗪 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 生成 methyl {[4-(4-acetylpiperazin-1-yl)phenyl]amino}(oxo)acetate
  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

文献信息

• OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS
  申请人：Butlin Roger John

  公开号：US20090215779A1

  公开（公告）日：2009-08-27

  Compounds of Formula (I): wherein R 1 -R 2 , W and Y are as described in the specification, and their salts and pro-drugs, are inhibitors of DGAT and are thereby useful in the treatment of, for example, obesity. Processes for preparing compounds of formula (I) are also described.

  式(I)的化合物：其中R1-R2、W和Y如规范所述，以及它们的盐和前药，是DGAT的抑制剂，因此在治疗肥胖症等方面是有用的。本文还描述了制备式(I)化合物的过程。
• WO2006/134317
  申请人：——

  公开号：——

  公开（公告）日：——