4-(2,2-diphenylethoxy)benzoic acid | 204840-62-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(2,2-diphenylethoxy)benzoic acid
• CAS: 204840-62-0
• 化学式: C₂₁H₁₈O₃
• 分子量: 318.372
• InChiKey: NLBCGKLGWFJGKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 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：

  4-(2,2-diphenylethoxy)benzoic acid 在 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成
  参考文献：
  名称：

  Benzimidazole inhibitors of hepatitis C virus NS5B polymerase: Identification of 2-[(4-diarylmethoxy)phenyl]-benzimidazole

  摘要：

  A series of 1-cycloalkyl-2-phenyl-1H-benzimidazole-5-carboxylic acid derivatives was synthesized and evaluated for inhibitory activity against HCV NS5B RNA-dependent RNA polymerase (RdRp). A SAR study was performed and led to identify the 2-[(4-diarylmethoxy)phenyl]-benzimidazoles as potent inhibitors. They inhibit subgenomic HCV RNA replication in the replicon cells at low micromolar concentrations (EC50 as low as 1.1 mu M). They are selective against. DNA polymerases (IC50 > 10 mu M) and exhibit low cytotoxicity. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.01.032
• 作为产物：
  描述：

  2,2-二苯基乙醇 在 sodium hydroxide 、 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 1.0h， 生成 4-(2,2-diphenylethoxy)benzoic acid
  参考文献：
  名称：

  Benzimidazole inhibitors of hepatitis C virus NS5B polymerase: Identification of 2-[(4-diarylmethoxy)phenyl]-benzimidazole

  摘要：

  A series of 1-cycloalkyl-2-phenyl-1H-benzimidazole-5-carboxylic acid derivatives was synthesized and evaluated for inhibitory activity against HCV NS5B RNA-dependent RNA polymerase (RdRp). A SAR study was performed and led to identify the 2-[(4-diarylmethoxy)phenyl]-benzimidazoles as potent inhibitors. They inhibit subgenomic HCV RNA replication in the replicon cells at low micromolar concentrations (EC50 as low as 1.1 mu M). They are selective against. DNA polymerases (IC50 > 10 mu M) and exhibit low cytotoxicity. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.01.032

文献信息

• THROMBIN INHIBITORS
  申请人：MERCK & CO., INC.

  公开号：EP0927035A1

  公开（公告）日：1999-07-07
• EP0927035A4
  申请人：——

  公开号：EP0927035A4

  公开（公告）日：2002-11-13
• US5872138A
  申请人：——

  公开号：US5872138A

  公开（公告）日：1999-02-16
• [EN] THROMBIN INHIBITORS<br/>[FR] INHIBITEURS DE THROMBINE
  申请人：——

  公开号：WO1998010763A1

  公开（公告）日：1998-03-19

  [EN] A compound which inhibits human thrombin and which has general structure (I) such as formula (a).
  [FR] On décrit un composé qui inhibe la thrombine chez l'homme et qui est représenté par la formule générale (I) telle que la formule (a).
• Benzimidazole inhibitors of hepatitis C virus NS5B polymerase: Identification of 2-[(4-diarylmethoxy)phenyl]-benzimidazole
  作者：Tomio Ishida、Takayoshi Suzuki、Shintaro Hirashima、Kenji Mizutani、Atsuhito Yoshida、Izuru Ando、Satoru Ikeda、Tsuyoshi Adachi、Hiromasa Hashimoto

  DOI：10.1016/j.bmcl.2006.01.032

  日期：2006.4

  A series of 1-cycloalkyl-2-phenyl-1H-benzimidazole-5-carboxylic acid derivatives was synthesized and evaluated for inhibitory activity against HCV NS5B RNA-dependent RNA polymerase (RdRp). A SAR study was performed and led to identify the 2-[(4-diarylmethoxy)phenyl]-benzimidazoles as potent inhibitors. They inhibit subgenomic HCV RNA replication in the replicon cells at low micromolar concentrations (EC50 as low as 1.1 mu M). They are selective against. DNA polymerases (IC50 > 10 mu M) and exhibit low cytotoxicity. (C) 2006 Elsevier Ltd. All rights reserved.