4-(4-methylbenzyl)-4'-hydroxybiphenyl-4-carboxylate | 178748-98-6

• 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-(4-methylbenzyl)-4'-hydroxybiphenyl-4-carboxylate
• 英文别名: 4-(4-hydroxyphenyl)benzoate(4-methylbenzylester)；4-methylbenzyl 4-(4-hydroxyphenyl)benzoate；(4-Methylphenyl)methyl 4-(4-hydroxyphenyl)benzoate
• CAS: 178748-98-6
• 化学式: C₂₁H₁₈O₃
• 分子量: 318.372
• InChiKey: LCRXXKHMSFIKQX-UHFFFAOYSA-N

物化性质

• 沸点：
  496.3±33.0 °C(Predicted)
• 密度：
  1.187±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  24
• 可旋转键数：
  5
• 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-guanidinomethylbenzoic acid hydrochloride 、 4-(4-methylbenzyl)-4'-hydroxybiphenyl-4-carboxylate 在 吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 生成 4-methylbenzyl 4'-[p-guanidinomethylbenzoyloxy]biphenyl-4-carboxylate
  参考文献：
  名称：

  A specific anti-Helicobacter pylori agent NE2001: synthesis and its effect on the growth of H. pylori

  摘要：

  The synthesis and anti-Helicobacter pylori activity of a novel agent NE2001, 4-(4-methylbenzyl)-4'-[guanidino-methylbenzoyloxy] biphenyl-4-carboxylate hydrochloride, are described. NE2001 had a specific inhibitory effect on the growth of H. pylori preceded by the suppression DNA synthesis in the cell. The effects of NE2001 on RNA and protein syntheses in H. Pylori were also examined. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00547-x
• 作为产物：
  描述：

  4'-羟基联苯-4-羧酸 在 硫酸 、 sodium methylate 作用下， 以 甲苯 为溶剂， 反应 74.5h， 生成 4-(4-methylbenzyl)-4'-hydroxybiphenyl-4-carboxylate
  参考文献：
  名称：

  A specific anti-Helicobacter pylori agent NE2001: synthesis and its effect on the growth of H. pylori

  摘要：

  The synthesis and anti-Helicobacter pylori activity of a novel agent NE2001, 4-(4-methylbenzyl)-4'-[guanidino-methylbenzoyloxy] biphenyl-4-carboxylate hydrochloride, are described. NE2001 had a specific inhibitory effect on the growth of H. pylori preceded by the suppression DNA synthesis in the cell. The effects of NE2001 on RNA and protein syntheses in H. Pylori were also examined. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00547-x

文献信息

• Methods and compositions for treating or preventing bacterial infection
  申请人：——

  公开号：US20030125384A1

  公开（公告）日：2003-07-03

  The invention relates to compositions and methods for treating or preventing disease or disorders caused by or associated with certain bacterial infection, especially Escherichia coli ( E. coli ) or Helicobacter pylori ( H. pylori ) infection.

  这项发明涉及用于治疗或预防由或与某些细菌感染引起的疾病或紊乱的组合物和方法，特别是大肠杆菌（E. coli）或幽门螺杆菌（H. pylori）感染相关的疾病或紊乱。
• Cyclohexane carbocyclic ester derivative and cyclodextrin complex and composition for treatment of helicobacter pylori infections
  申请人：Teikoku Chemical Industries Co., Ltd.

  公开号：US06444703B1

  公开（公告）日：2002-09-03

  The present invention relates to a pharmaceutical composition which is appropriate for eradication or extermination of Helicobacter pylori wherein [4-[4-(4-methylbenzyloxycarbonyl)phenyl[phenyl trans-4-guanidinomethylcyclohexanecarboxylate or an acid addition salt thereof are compounded and it also relates to a complex consisting them.

  本发明涉及一种适用于根除或消灭幽门螺杆菌的药物组合物，其中包含4-[4-(4-甲基苯甲氧羰基)苯基]苯基转-4-胍甲基环己烷羧酸盐或其酸加成盐，同时还涉及由它们组成的复合物。
• [EN] METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING BACTERIAL INFECTION<br/>[FR] PROCEDES ET COMPOSITIONS POUR LE TRAITEMENT OU LA PREVENTION D'UNE AFFECTION BACTERIENNE
  申请人：ZHU DEXU

  公开号：WO2003029201A1

  公开（公告）日：2003-04-10

  The invention relates to compositions and methods for treating or preventing disease or disorders caused by or associated with certain bacterial infection, especially Escherichia coli (E. coli) or Helicobacter pylori (H. pylori) infection.

  本发明涉及用于治疗或预防由特定细菌感染引起或相关的疾病或疾病障碍的组合物和方法，尤其是大肠杆菌（E. coli）或幽门螺杆菌（H. pylori）感染。
• Guanidinomethyl cyclohexane carboxylic acid ester derivatives
  申请人：Kamoda Osamu

  公开号：US20050075402A1

  公开（公告）日：2005-04-07

  The invention relates to novel and valuable intermediate compounds of the general formula (VIII) which can be used for the preparation of novel compounds comprising an antibacterial action, especially with a strong antibacterial action against helicobacter pylori, and pharmaceutically acceptable salts thereof. In the general formula (VIII) X is hydrogen or halogen, Y is hydrogen or a substituted or unsubstituted aralkyloxycarbonyl group having 8-19 carbon atoms, Z is hydrogen, a substituted aralkyloxycarbonyl group having 8-19 carbon atoms or a substituted alkoxycarbonyyl group having 2-19 carbon atoms, except that X, Y and Z are all hydrogen.

  本发明涉及一种新型有价值的中间化合物，其通式为（VIII），可用于制备具有抗菌作用的新化合物，特别是对幽门螺杆菌具有强烈的抗菌作用，以及其药学上可接受的盐。在通式（VIII）中，X为氢或卤素，Y为氢或具有8-19个碳原子的取代或未取代的芳基氧羰基基团，Z为氢，具有8-19个碳原子的取代芳基氧羰基基团或具有2-19个碳原子的取代烷氧羰基基团，但X、Y和Z均为氢时除外。
• ANTI-HELICOBACTER PYLORI AGENT
  申请人：TEIKOKU CHEMICAL INDUSTRY CO., LTD.

  公开号：EP0870500A1

  公开（公告）日：1998-10-14

  A drug composition which comprises a combination of 4-[4-(4-methylbenzyloxycarbonyl)phenyl]phenyl trans-4-guanidinomethylcyclohexanecarboxylate or an acid addition salt thereof and a cyclodextrin, especially β-cyclodextrin, and is suitable for removing or exterminating Helicobacter pylori ; and a composite of the same.

  一种药物组合物，由反式-4-[4-(4-甲基苄氧羰基)苯基]苯基-4-胍基甲基环己烷羧酸酯或其酸加成盐和环糊精（尤其是β-环糊精）组合而成，适用于清除或杀灭幽门螺旋杆菌；以及两者的复合物。