(2R)-2-amino-N-(2-morpholin-4-ylethyl)-2-phenylacetamide | 1306399-85-8

• 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: (2R)-2-amino-N-(2-morpholin-4-ylethyl)-2-phenylacetamide
• CAS: 1306399-85-8
• 化学式: C₁₄H₂₁N₃O₂
• 分子量: 263.34
• InChiKey: BPWQWFIOURQEFB-CYBMUJFWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  67.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2R)-2-amino-N-(2-morpholin-4-ylethyl)-2-phenylacetamide 、 2-(3,5-双-三氟甲基-苯基)- 2-甲基-丙酸 在 N,N-二异丙基乙胺 、 3-(二乙氧基邻酰氧基)-1,2,3-苯并三嗪-4-酮 作用下， 以 二氯甲烷 为溶剂， 反应 14.0h， 以0.45 g的产率得到(R)-2-(3,5-bis-trifluoromethyl-phenyl)-N-[(2-morpholin-4-yl-ethylcarbamoyl)phenylmethyl]-isobutyramide
  参考文献：
  名称：

  Design and synthesis of potential dual NK1/NK3 receptor antagonists

  摘要：

  The tachykinin NK1 and NK3 receptors are a novel drug target for schizophrenia in order to treat not only the positive and cognitive symptoms, but also the associated co-morbid depression and sleep disturbances associated with the disease. A novel class of peptidomimetic derivatives based on a versatile phenylglycine central core was synthesized and tested in vitro as dual NK1/NK3 receptor antagonists. From this series emerged compounds with good NK1 receptor affinity, although only modest dual NK1/NK3 receptor affinity was observed with one of these analogs. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.12.033
• 作为产物：
  描述：

  (R)-[(2-morpholin-4-yl-ethylcarbamoyl)phenylmethyl]carbamic acid benzyl ester 在 10 wt% Pd(OH)2 on carbon 、 氢气 作用下， 以 甲醇 为溶剂， 反应 16.0h， 生成 (2R)-2-amino-N-(2-morpholin-4-ylethyl)-2-phenylacetamide
  参考文献：
  名称：

  Design and synthesis of potential dual NK1/NK3 receptor antagonists

  摘要：

  The tachykinin NK1 and NK3 receptors are a novel drug target for schizophrenia in order to treat not only the positive and cognitive symptoms, but also the associated co-morbid depression and sleep disturbances associated with the disease. A novel class of peptidomimetic derivatives based on a versatile phenylglycine central core was synthesized and tested in vitro as dual NK1/NK3 receptor antagonists. From this series emerged compounds with good NK1 receptor affinity, although only modest dual NK1/NK3 receptor affinity was observed with one of these analogs. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.12.033