3-(3-benzyl-4'-methoxybiphenyl-4-yl)-propionic acid | 395681-97-7

• 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: 3-(3-benzyl-4'-methoxybiphenyl-4-yl)-propionic acid
• 英文别名: 3-[2-Benzyl-4-(4-methoxyphenyl)phenyl]propanoic acid
• CAS: 395681-97-7
• 化学式: C₂₃H₂₂O₃
• 分子量: 346.426
• InChiKey: FAWJJCMFTXOBPN-UHFFFAOYSA-N

物化性质

• 沸点：
  518.4±50.0 °C(Predicted)
• 密度：
  1.146±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 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-(3-benzyl-4'-methoxybiphenyl-4-yl)-propionic acid 在 Adam’s catalyst sodium hydroxide 、 氯化亚砜 、 氢气 、 三溴化硼 、 四氯化钛 作用下， 以 乙醇 、 二氯甲烷 、 乙酸乙酯 为溶剂， 反应 109.0h， 生成 4-benzyl-2-(4-hydroxybenzyl)-2-hydroxymethyl-6-(4-hydroxyphenyl)-indan-1-one
  参考文献：
  名称：

  Chemical studies on the chiral indanone derivatives as the inhibitor of Renilla luciferase

  摘要：

  The bioluminescence reaction of coelenterazine involves an oxidative process. To investigate the reaction mechanism, we synthesized three mechanism-based inhibitors with an indanone core structure. The inhibitors exhibited the competitive inhibition of the Renilla luciferase reaction. The (-)-4-benzyl-2-(4-hydroxybenzyl)-2-hydroxymethyl-6-(4-hydroxyphenyl)-indan-1-one showed the significant enantio-selectivity of the inhibition and its absolute configuration was assigned as the R-configuration. These inhibitors could be useful probes to study the catalytic environment in the coelenterazine-luciferase reaction. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00980-2
• 作为产物：
  描述：

  N,N-二乙基-4-溴苯甲酰胺 在 palladium on activated charcoal 四(三苯基膦)钯 、 四甲基乙二胺 、 氢气 、 仲丁基锂 、 二异丁基氢化铝 、 sodium carbonate 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 正己烷 、 二氯甲烷 、 苯 为溶剂， 反应 67.67h， 生成 3-(3-benzyl-4'-methoxybiphenyl-4-yl)-propionic acid
  参考文献：
  名称：

  Chemical studies on the chiral indanone derivatives as the inhibitor of Renilla luciferase

  摘要：

  The bioluminescence reaction of coelenterazine involves an oxidative process. To investigate the reaction mechanism, we synthesized three mechanism-based inhibitors with an indanone core structure. The inhibitors exhibited the competitive inhibition of the Renilla luciferase reaction. The (-)-4-benzyl-2-(4-hydroxybenzyl)-2-hydroxymethyl-6-(4-hydroxyphenyl)-indan-1-one showed the significant enantio-selectivity of the inhibition and its absolute configuration was assigned as the R-configuration. These inhibitors could be useful probes to study the catalytic environment in the coelenterazine-luciferase reaction. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00980-2

文献信息

• Design, Synthesis, and Evaluation of the Transition- State Inhibitors of Coelenterazine Bioluminescence:  Probing the Chiral Environment of Active Site
  作者：Hideshi Nakamura、Chun Wu、Satoshi Inouye、Akio Murai

  DOI：10.1021/ja005663v

  日期：2001.2.1
• EP1594512A4
  申请人：——

  公开号：EP1594512A4

  公开（公告）日：2007-07-11
• COMPOUNDS FOR THE TREATMENT OF VIRAL INFECTION
  申请人：Kemia, INC.

  公开号：EP1594512A2

  公开（公告）日：2005-11-16
• Compounds for the treatment of HIV infection
  申请人：Kemia, Inc.

  公开号：US20040248850A1

  公开（公告）日：2004-12-09

  The present invention is related to compounds, their intermediates, processes for their preparation and use, and pharmaceutical compositions comprising the compounds. The novel compounds are useful in therapy, and in particular for the treatment of viral infection, particularly HIV infection.
• [EN] COMPOUNDS FOR THE TREATMENT OF VIRAL INFECTION<br/>[FR] COMPOSES DESTINES AU TRAITEMENT D'UNE INFECTION VIRALE
  申请人：KEMIA INC

  公开号：WO2004071426A2

  公开（公告）日：2004-08-26

  The present invention is related to compounds, their intermediates, processes for their preparation and use, and pharmaceutical compositions comprising the compounds. The novel compounds are useful in therapy, and in particular for the treatment of viral infection, particularly HIV infection.