ethyl 2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)anilino]acetate | 923030-46-0

• 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: ethyl 2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)anilino]acetate
• CAS: 923030-46-0
• 化学式: C₁₇H₂₆N₂O₄
• 分子量: 322.404
• InChiKey: FGZMWFZARHNLNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.14
• 重原子数：
  23.0
• 可旋转键数：
  9.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  60.03
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  ethyl 2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)anilino]acetate 、 4-联苯异氰酸盐 在 TEA 作用下， 以 二氯甲烷 为溶剂， 生成 1-[3-Methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(4-phenylphenyl)imidazolidine-2,4-dione
  参考文献：
  名称：

  Design and synthesis of novel hydantoin-containing melanin-concentrating hormone receptor antagonists

  摘要：

  We report here new chemical series acting as antagonists of melanin-concentrating hormone receptor I (MCHR-1). Synthesis and structure-activity relationships are described leading to the identification of compounds with optimized in vitro pharmacological and in vitro ADME profiles. In vivo activity has been demonstrated in animal models of food intake and depression. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.04.012
• 作为产物：
  描述：

  1-[2-(2-甲氧基-4-硝基苯氧基)乙基]吡咯烷 在 palladium on activated charcoal 氢气 、 sodium sulfate 作用下， 以 乙醇 、 1,2-二氯乙烷 、 甲苯 为溶剂， 20.0~60.0 ℃ 、101.33 kPa 条件下， 反应 16.0h， 生成 ethyl 2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)anilino]acetate
  参考文献：
  名称：

  Design and synthesis of novel hydantoin-containing melanin-concentrating hormone receptor antagonists

  摘要：

  We report here new chemical series acting as antagonists of melanin-concentrating hormone receptor I (MCHR-1). Synthesis and structure-activity relationships are described leading to the identification of compounds with optimized in vitro pharmacological and in vitro ADME profiles. In vivo activity has been demonstrated in animal models of food intake and depression. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.04.012

文献信息

• Design and synthesis of novel hydantoin-containing melanin-concentrating hormone receptor antagonists
  作者：Fabrice Balavoine、Patrice Malabre、Thierry Alleaume、Astrid Rey、Valérie Cherfils、Olivier Jeanneton、Sophie Seigneurin-Venin、Frédéric Revah

  DOI：10.1016/j.bmcl.2007.04.012

  日期：2007.7

  We report here new chemical series acting as antagonists of melanin-concentrating hormone receptor I (MCHR-1). Synthesis and structure-activity relationships are described leading to the identification of compounds with optimized in vitro pharmacological and in vitro ADME profiles. In vivo activity has been demonstrated in animal models of food intake and depression. (c) 2007 Elsevier Ltd. All rights reserved.