2-(Biphenyl-3-yloxy)-2-methyl-propionic acid | 857351-98-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(Biphenyl-3-yloxy)-2-methyl-propionic acid
• 英文别名: 2-([1,1a(2)-Biphenyl]-3-yloxy)-2-methylpropanoic acid；2-methyl-2-(3-phenylphenoxy)propanoic acid
• CAS: 857351-98-5
• 化学式: C₁₆H₁₆O₃
• 分子量: 256.301
• InChiKey: LFBMGCFKGBTSME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-(3-氨丙基)吗啉 、 Boc-D-苯丙氨酸 、 2-(Biphenyl-3-yloxy)-2-methyl-propionic acid 生成 2-(Biphenyl-3-yloxy)-2-methyl-N-[(R)-1-(3-morpholin-4-yl-propylcarbamoyl)-2-phenyl-ethyl]-propionamide
  参考文献：
  名称：

  Generation of a new class of hNK2 receptor ligands using the ‘fragment approach’

  摘要：

  The so called 'fragment approach' was applied in the search for new leads as selective hNK(2) antagonists. A first round of structural space exploration through the use of bond rigidity as scaffold to support the fragments, afforded 27a as 200 nM hNK(2) ligand. Further refinement gave MEN 14933 as a 16 nM hNK(2) ligand, selective versus hNK(1), of a novel class. Conformational analysis was used to study results and plan future work. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.045

文献信息

• Generation of a new class of hNK2 receptor ligands using the ‘fragment approach’
  作者：Piero D’Andrea、Marina Porcelloni、Andrea Madami、Riccardo Patacchini、Maria Altamura、Daniela Fattori

  DOI：10.1016/j.bmcl.2004.11.045

  日期：2005.2

  The so called 'fragment approach' was applied in the search for new leads as selective hNK(2) antagonists. A first round of structural space exploration through the use of bond rigidity as scaffold to support the fragments, afforded 27a as 200 nM hNK(2) ligand. Further refinement gave MEN 14933 as a 16 nM hNK(2) ligand, selective versus hNK(1), of a novel class. Conformational analysis was used to study results and plan future work. (C) 2004 Elsevier Ltd. All rights reserved.