3-(4-(4-甲氧基苯基)苯基)丙酸 | 20854-62-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-(4-(4-甲氧基苯基)苯基)丙酸
• 英文名称: 3-(4-(4-methoxyphenyl)phenyl)propanoic acid
• 英文别名: 3-[4-(4-Methoxyphenyl)phenyl]propionic acid；4'-Methoxy-biphenyl-propionsaeure-(4)；3-(4'-Methoxybiphenyl-4-yl)propanoic acid；3-[4-(4-methoxyphenyl)phenyl]propanoic acid
• CAS: 20854-62-0
• 化学式: C₁₆H₁₆O₃
• 分子量: 256.301
• InChiKey: CPRRQEXYJPDNSU-UHFFFAOYSA-N

物化性质

• 沸点：
  433.1±38.0 °C(Predicted)
• 密度：
  1.151±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 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：

  3-(4-(4-甲氧基苯基)苯基)丙酸 在 PPA 作用下， 生成 6-(4-methoxyphenyl)-indan-1-one
  参考文献：
  名称：

  Minssen-Guette,M. et al., Bulletin de la Societe Chimique de France, 1968, p. 2111 - 2117

  摘要：

  DOI：
• 作为产物：
  描述：

  4’-甲氧基[1,1’-联苯]-4-甲酸甲酯 在 lithium aluminium tetrahydride 、 三溴化磷 作用下， 以 四氢呋喃 、 苯 为溶剂， 生成 3-(4-(4-甲氧基苯基)苯基)丙酸
  参考文献：
  名称：

  Minssen-Guette,M. et al., Bulletin de la Societe Chimique de France, 1968, p. 2111 - 2117

  摘要：

  DOI：

文献信息

• Carboxylic acid derivatives that inhibit the binding of integrins to their receptors
  申请人：Biediger J. Ronald

  公开号：US20060276476A1

  公开（公告）日：2006-12-07

  A method for the inhibition of the binding of α 4 β 1 integrin to its receptors, for example VCAM-1 (vascular cell adhesion molecule-1) and fibronectin; compounds that inhibit this binding; pharmaceutically active compositions comprising such compounds; and to the use of such compounds either a above, or in formulations for the control or prevention of diseases states in which α 4 β 1 is involved.

  一种抑制α4β1整合素与其受体（例如VCAM-1（血管细胞黏附分子-1）和纤维连接蛋白）结合的方法；抑制这种结合的化合物；包含这种化合物的药物活性组合物；以及使用这种化合物的用途，无论是以上述方式还是在制剂中用于控制或预防α4β1参与的疾病状态。
• NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND
  申请人：Daiichi Sankyo Company, Limited

  公开号：EP2308838B1

  公开（公告）日：2016-02-17
• Affinity and kinetics study of anthranilic acids as HCA2 receptor agonists
  作者：Jacobus P.D. van Veldhoven、Rongfang Liu、Stephanie A. Thee、Yessica Wouters、Sanne J.M. Verhoork、Christiaan Mooiman、Julien Louvel、Adriaan P. IJzerman

  DOI：10.1016/j.bmc.2015.02.018

  日期：2015.7

  Structure-affinity relationship (SAR) and structure-kinetics relationship (SKR) studies were combined to investigate a series of biphenyl anthranilic acid agonists for the HCA(2) receptor. In total, 27 compounds were synthesized and twelve of them showed higher affinity than nicotinic acid. Two compounds, 6g (IC50 = 75 nM) and 6z (IC50 = 108 nM) showed a longer residence time profile compared to nicotinic acid, exemplified by their kinetic rate index (KRI) values of 1.31 and 1.23, respectively. The SAR study resulted in the novel 2-F, 4-OH derivative (6x) with an IC50 value of 23 nM as the highest affinity HCA(2) agonist of the biphenyl series, although it showed a similar residence time as nicotinic acid. The SAR and SKR data suggest that an early compound selection based on binding kinetics is a promising addition to the lead optimization process. (C) 2015 Elsevier Ltd. All rights reserved.
• LIQUID CRYSTAL COMPOUNDS, MIXTURES AND DEVICES
  申请人：The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and

  公开号：EP0259423A1

  公开（公告）日：1988-03-16
• US6972296B2
  申请人：——

  公开号：US6972296B2

  公开（公告）日：2005-12-06