4-methylbenzyl 4'-[trans-4-(guanidinomethyl)cyclohexylcarbonyloxy]biphenyl-4-carboxylate hydrochloride | 178748-55-5

• 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: 4-methylbenzyl 4'-[trans-4-(guanidinomethyl)cyclohexylcarbonyloxy]biphenyl-4-carboxylate hydrochloride
• 英文别名: TG44；4-[4-(4-Methylbenzyloxycarbonyl)phenyl]phenyl trans-4-guanidinomethylcyclohexanecarboxylate hydrochloride
• CAS: 178748-55-5
• 化学式: C₃₀H₃₃N₃O₄*ClH
• 分子量: 536.071
• InChiKey: SNQBEHHDSOOHOA-GJAKSKTGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.64
• 重原子数：
  38.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  114.5
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  4'-羟基联苯-4-羧酸 、 4-甲基苄溴 、 TRANS-4-GUANIDINOMETHYLCYCLOHEXANECARBOXYLIC ACID HYDROCHLORIDE 、 4-(4-methylbenzyl)-4'-hydroxybiphenyl-4-carboxylate 在 吡啶 、 氯化亚砜 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 生成 4-methylbenzyl 4'-[trans-4-(guanidinomethyl)cyclohexylcarbonyloxy]biphenyl-4-carboxylate hydrochloride
  参考文献：
  名称：

  Cyclohexane carbocyclic ester derivative and cyclodextrin complex and composition for treatment of helicobacter pylori infections

  摘要：

  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。

  公开号：

  US06444703B1

文献信息

• 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。
• Compositions and methods for treating, ameliorating and preventing H. pylori infections
  申请人：CENTRE FOR DIGESTIVE DISEASES

  公开号：US11033536B2

  公开（公告）日：2021-06-15

  Provided are methods for treating, ameliorating, reversing and/or preventing a Helicobacter pylori (H. pylori) infection in an individual in need thereof, comprising: administering to the individual in need thereof a therapeutic combination comprising: (a) a composition comprising or consisting of: vonoprazan or a vonoprazan fumarate, or a 5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl)-N-methylmethanamine monofumarate, or a 1-(5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl)-N-methyl-methanamine fumarate), optionally TAKECAB™; and (b) an antimicrobial or antibiotic drug or composition.

  本发明提供了用于治疗、改善、逆转和/或预防有需要的个体的幽门螺杆菌（H.幽门螺杆菌）感染的方法，包括：向有需要的个体施用治疗组合物，该组合物包括：(a) 一种组合物，该组合物包含或由以下物质组成：沃诺普拉赞或沃诺普拉赞富马酸盐，或 5-(2-氟苯基)-1-(吡啶-3-基磺酰基)-1H-吡咯-3-基)-N-甲基甲胺单富马酸盐，或 1-(5-(2-氟苯基)-1-(吡啶-3-基磺酰基)-1H-吡咯-3-基)-N-甲基甲胺富马酸盐，可选 TAKECAB™；(b) 抗菌或抗生素药物或组合物。
• CYCLOHEXANE CARBOCYCLIC ESTER DERIVATIVE AND CYCLODEXTRIN COMPLEX AND COMPOSITION FOR TREATMENT OF HELICOBACTER PYLORI INFECTIONS
  申请人：——

  公开号：US20020123508A1

  公开（公告）日：2002-09-05

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

  摘要 本发明涉及一种药物组合物，它适用于根除或消灭 幽门螺旋杆菌 其中[4-[4-(4-甲基苄氧羰基)苯基]反式-4-胍基-甲基环己烷羧酸苯酯或其酸加成盐，还涉及由它们组成的复合物。
• Method of making surface modified silica gel
  申请人：Yang Zuyin

  公开号：US20050205102A1

  公开（公告）日：2005-09-22

  A method of treating silica gel to improve its characteristics as a filter material. The method comprises the steps of preparing surface modified silica gel by introducing fluidizing gas into a reactor at least partially filled with silica gel particles so as to form a fluidized bed of the silica gel particles; and introducing a liquid reagent into the reactor so as to modify the surface of the silica gel particles by covalently bonding at least one functional group thereto. The liquid reagent may be prepared such that the functional group includes a 3-aminopropylsilyl group, a N-[2-aminoethyl]-3-aminopropylsilyl group, a N-[N-(2-aminoethyl)-2-aminoethyl]-3-aminopropylsilyl group or a mixture thereof. The liquid reagent can be an aqueous or non-aqueous solution containing 3-aminopropyltriethoxysilane, 3-aminopropyltrimethoxysilane, N-[3-(trimethoxysilyl)propyl]-ethylenediamine and/or N′-[3-(trimethoxysilyl)propyl]-diethylenetriamine.