4-[4-(Cyclohexylmethyl)piperazinocarbonyl]phenyl 4-guanidinobenzoate.carbonate | 111094-50-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 4-[4-(Cyclohexylmethyl)piperazinocarbonyl]phenyl 4-guanidinobenzoate.carbonate
• 英文别名: Carbonic acid;[4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenyl] 4-(diaminomethylideneamino)benzoate
• CAS: 111094-50-9
• 化学式: CH₂O₃*C₂₆H₃₃N₅O₃
• 分子量: 525.605
• InChiKey: ZLTBERQJXZKYFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.77
• 重原子数：
  38
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  172
• 氢给体数：
  4
• 氢受体数：
  8

文献信息

• Benzoyl esters
  申请人：KOWA CO. LTD.

  公开号：EP0214429A1

  公开（公告）日：1987-03-18

  Novel benzoyl esters of the following formula (I), and acid addition salts thereof, in which R, and R2 are the same or different and represent a hydrogen atom or a lower alkoxy group, A represents a single bond, a linear or branched lower alkylene group, a lower alkenylene group, R3 and R4 are the same or different and represent a hydrogen atom or a lower alkyl group, or R, and R4 join together to form a lower alkylene group, Rs represents a group of the formula, -X-(CO) n-Y in which X represents a single bond, a linear or branched lower alkylene group or an alkenylene group, n is 0 or I, Y represents a hydrogen atom, a cycloalkyl group, an aryl group, a hydroxyl group, a lower alkoxy group and the like are prepared by reacting para-nitrobenzoic acid or its derivative with a compound of the general formula (III) or its derivative to obtain a compound of the general formula (IV) followed by reducing the compound of the formula (IX) and subjecting the compound (IX) to guanidylation reaction, or by reacting para-guanidinobenzoic derivative with compound (III) or its derivative. The benzoyl esters have strong anti-trypsin activity, anti-thrombin activity and anticoagulant activity with low toxicity and are useful as a medicine for treatment of pancreatitis and disseminated intravascular coagulation (DIC).

  下式(I)的新型苯甲酰酯及其酸加成盐、 其中 R 和 R2 相同或不同，代表氢原子或低级烷氧基；A 代表单键、直链或支链低级亚烷基、低级烯基；R3 和 R4 相同或不同，代表氢原子或低级烷基，或 R 和 R4 连接在一起形成低级亚烷基；Rs 代表式中的一个基团、-对硝基苯甲酸或其衍生物与通式（III）化合物或其衍生物反应，制备对硝基苯甲酸或其衍生物，其中 X 代表单键、直链或支链低级亚烷基或烯基，n 为 0 或 I，Y 代表氢原子、环烷基、芳基、羟基、低级烷氧基等。 得到通式（IV）化合物 然后还原通式（IX）化合物 使化合物（IX）发生胍基化反应，或使对胍基苯甲酸衍生物与化合物（III）或其衍生物发生反应。 苯甲酰酯类化合物具有很强的抗胰蛋白酶活性、抗凝血酶活性和抗凝血活性，且毒性低，可作为治疗胰腺炎和弥散性血管内凝血（DIC）的药物。
• US4746737A
  申请人：——

  公开号：US4746737A

  公开（公告）日：1988-05-24