MEN 14268

• 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: MEN 14268
• 英文别名: N(alpha)[N(alpha)(benzo[b]thiophenyl-2-ylcarbonyl)-1-aminocyclopentane-1-carbonyl]-D-phenylalanine-N-[3-(morpholin-4-yl)propyl]amide；N(alpha)[N(alpha)(benzo[b]thiophenyl-2-ylcarbonyl)-1-aminocyclopentane-1-carbonyl]-D-phenylalanine-N-[3(morpholin-4-yl)propyl]amide；N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
• 化学式: C₃₁H₃₈N₄O₄S
• 分子量: 562.733
• InChiKey: UUYFYCJBQNCVMV-RUZDIDTESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  40
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  128
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-(3-氨丙基)吗啉 、 苯并噻吩-2-羧酸 、 Fmoc-D-苯丙氨酸 、 Fmoc-环亮氨酸 生成 MEN 14268
  参考文献：
  名称：

  α,α-Cyclic aminoacids as useful scaffolds for the preparation of hNK2 receptor antagonists

  摘要：

  MEN 15596 is a small molecule, potent and selective antagonist of NK2 receptor, possessing high affinity and potency at the guinea-pig and human receptors whose pharmacological characterization has been recently published. Here we report how the corresponding class of compounds was derived from a tri-peptide library and the first optimization round to improve both in vitro activity and physicochemical properties. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.053

文献信息

• α,α-Cyclic aminoacids as useful scaffolds for the preparation of hNK2 receptor antagonists
  作者：Alessandro Sisto、Maria Altamura、Franco Cardinali、Piero D’Andrea、Cristina Rossi、Daniela Fattori

  DOI：10.1016/j.bmcl.2007.06.053

  日期：2007.9

  MEN 15596 is a small molecule, potent and selective antagonist of NK2 receptor, possessing high affinity and potency at the guinea-pig and human receptors whose pharmacological characterization has been recently published. Here we report how the corresponding class of compounds was derived from a tri-peptide library and the first optimization round to improve both in vitro activity and physicochemical properties. (c) 2007 Elsevier Ltd. All rights reserved.