methyl [(4-morpholin-4-ylphenyl)amino](oxo)acetate | 892491-25-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: methyl [(4-morpholin-4-ylphenyl)amino](oxo)acetate
• 英文别名: Methyl 2-(4-morpholinophenylamino)-2-oxoacetate；methyl 2-(4-morpholin-4-ylanilino)-2-oxoacetate
• CAS: 892491-25-7
• 化学式: C₁₃H₁₆N₂O₄
• mdl: MFCD26144693
• 分子量: 264.281
• InChiKey: PLKOCIZDMSTXSM-UHFFFAOYSA-N

物化性质

• 密度：
  1.284±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.384
• 拓扑面积：
  67.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl [(4-morpholin-4-ylphenyl)amino](oxo)acetate 在 肼 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以94%的产率得到2-hydrazino-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide
  参考文献：
  名称：

  WO2006/64189

  摘要：

  公开号：
• 作为产物：
  描述：

  甲基戊酰氯 、 4-(4-吗啉基)苯胺 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 生成 methyl [(4-morpholin-4-ylphenyl)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 Derivative as Dgat Inhibitors
  申请人：Birch Martin Alan

  公开号：US20080096874A1

  公开（公告）日：2008-04-24

  Compounds of formula (I), and salts and pro-drugs thereof: Formula (I) wherein for example R 1 is optionally substituted aryl or heteroaryl; Y is a linking group selected from, for example, a direct bond, and a (substituted) alkyl chain; R 2 is an optionally substituted aryl, an optionally substituted cycloalkyl or an optionally substituted heterocyclic group; are described. Processes to make such compounds and their use as DGAT inhibitors, for example in the treatment of obesity, are also described.

  式（I）的化合物，以及其盐和前药：其中，例如R1是可选取代芳基或杂环芳基；Y是选择自直接键和（取代）烷基链等的连接基；R2是可选取代芳基、可选取代环烷基或可选取代杂环基团。还描述了制备此类化合物的方法及其作为DGAT抑制剂的用途，例如在肥胖症的治疗中。
• Oxadiazole derivative as DGAT inhibitors
  申请人：AstraZeneca AB

  公开号：US07795283B2

  公开（公告）日：2010-09-14

  Compounds of formula (I), and salts and pro-drugs thereof: Formula (I) wherein for example R1 is optionally substituted aryl or heteroaryl; Y is a linking group selected from, for example, a direct bond, and a (substituted) alkyl chain; R2 is an optionally substituted aryl, an optionally substituted cycloalkyl or an optionally substituted heterocyclic group; are described. Processes to make such compounds and their use as DGAT inhibitors, for example in the treatment of obesity, are also described.

  公式（I）的化合物，以及其盐和前药： 公式（I）其中例如R1是可选取代芳基或杂环芳基; Y是选自直接键和（取代）烷基链等连接基团; R2是可选取代芳基，可选取代环烷基或可选取代杂环基团的化合物已被描述。还描述了制备这些化合物的过程以及它们作为DGAT抑制剂的用途，例如在肥胖症的治疗中。
• OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS
  申请人：BIRCH Alan Martin

  公开号：US20100317653A1

  公开（公告）日：2010-12-16

  Compounds of formula (I), and salts and pro-drugs thereof: wherein for example R 1 is optionally substituted aryl or heteroaryl; Y is a linking group selected from, for example, a direct bond, and a (substituted) alkyl chain; R 2 is an optionally substituted aryl, an optionally substituted cycloalkyl or an optionally substituted heterocyclic group; are described. Processes to make such compounds and their use as DGAT inhibitors, for example in the treatment of obesity, are also described.

  公式（I）的化合物、其盐和前药：其中，例如，R1是可选取代芳基或杂环芳基；Y是选自直接键和（取代）烷基链的连接基；R2是可选取代芳基、可选取代环烷基或可选取代杂环基团。本文描述了制备这种化合物的过程，以及它们作为DGAT抑制剂的用途，例如用于治疗肥胖症。
• WO2006/64189
  申请人：——

  公开号：——

  公开（公告）日：——
• WO2006/134317
  申请人：——

  公开号：——

  公开（公告）日：——