trans-4-guanidinomethylcyclohexane carboxylic acid hydrochloride | 64964-77-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: trans-4-guanidinomethylcyclohexane carboxylic acid hydrochloride
• 英文别名: trans-4-guanidinomethylcyclohexylcarboxylic acid hydrochloride；trans-4-guanidinomethyl cyclohexane carboxylic acid · hydrochloride；trans-4-Guanidinomethylcyclohexanecarboxylic acid hydrochloride；4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylic acid;hydrochloride
• CAS: 64964-77-8
• 化学式: C₉H₁₇N₃O₂*ClH
• 分子量: 235.714
• InChiKey: QCVUPSYRZFNUBN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.57
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  102
• 氢给体数：
  4
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  trans-4-guanidinomethylcyclohexane carboxylic acid hydrochloride 生成 (4-Acetamidophenyl) 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate;hydrochloride
  参考文献：
  名称：

  MURAMATSU, MUTSU;SATO, TOSIO;SEHKINEH, XIROYASU;TEHNDO, ATSUSI;KIGAVA, JO+

  摘要：

  DOI：

文献信息

• Guanidinomethyl cyclohexane carboxylic acid ester derivatives
  申请人：Teikoku Chemical Industries Co., Ltd.

  公开号：US06284791B1

  公开（公告）日：2001-09-04

  A compound represented by general formula (I-2) or a pharmaceutically acceptable acid-addition salt thereof, useful as an anti-microbial against Helicobacter pylori and as a medicinal composition for treating Helicobacter pylori infection, wherein Ar represents phenyl, biphenyl or naphthyl each having a at least one substituent selected from the group consisting of halogen, cyano, nitro, carboxy, C1-C18 alkyl, C1-C18 alkoxy, C3-C18 cycloalkyl, C7-C18 aralkyl, C8-C18 arylalkenyl, C7-C18 aralkyloxy, optionally substituted phenoxy, optionally substituted C2-C19 alkoxycarbonyl, and optionally substituted C8-C19 aralkyloxycarbonyl, provided the case where Ar represents phenyl substituted by halogen, cyano, nitro, carboxy, C1-C18 alkyl, optionally substituted C2-C19 alkoxycarbonyl or C8-C19 aralkyloxycarbonyl is expected.

  通用式（I-2）表示的化合物或其药学上可接受的酸加合盐，可用作抗幽门螺杆菌的药物，并作为治疗幽门螺杆菌感染的药物组合物，其中Ar代表苯基、联苯基或萘基，每个基上至少有一个取代基，所选自卤素、氰基、硝基、羧基、C1-C18烷基、C1-C18烷氧基、C3-C18环烷基、C7-C18芳基烷基、C8-C18芳基烯基、C7-C18芳基氧基、可选择取代的苯氧基、可选择取代的C2-C19烷氧羰基，以及可选择取代的C8-C19芳基烷氧羰基，其中Ar代表被卤素、氰基、硝基、羧基、C1-C18烷基、可选择取代的C2-C19烷氧羰基或C8-C19芳基烷氧羰基取代的苯基的情况是预期的。
• Phenylalanine derivative and proteinase inhibitor
  申请人：Okamoto, Shosuke

  公开号：EP0284632A1

  公开（公告）日：1988-10-05

  A phenylalanine derivative having the formula (I): wherein A represents (a) H2N-, (b) or B represents (a) (b) or wherein m is 0, 1, or 2 and n is 3, 4, or 5; X represents (a) hydroxy, (b) nitro, (c) amino, (d) phenoxy which may be substituted with (i) halogen or (ii) nitro, (e) C1-C4 alkyloxy which may be substituted with (i) phenyl or (ii) benzoyl, (f) benzoyl, (g) pyridyloxy which may be substituted with (i) halogen or (ii) nitro, or (h) C1-C4 alkyl which may be substituted with halogen; Y represents or -OR3 wherein R1 and R2 are independently (a) hydrogen, (b) phenyl which may be substituted with (i) benzoyl, (ii) C1-C4 alkylcarbonyl, (iii) C1-C4 alkyl which may be further substituted with C1-C4 alkoxycarbonyl or hydroxycarbonyl, (iv) C2-Cs alkenyl which may be further substituted with hydroxycarbonyl or C1-C4 alkoxycarbonyl, (v) C1-C4 alkoxycarbonyl, or (vi) amidino, (c) pyridyl which may be substituted with halogen or carboxyl (d) imidazolyl, (e) pyrimidyl, (f) tetrazolyl, (g) thiazolyl which may be substituted with C,-C4 alkyl which may be further substituted with C1-C4 alkoxycarbonyl, (h) C1-C6 alkyl which may be substituted with C1-C4 alkoxy, C1-C4 alkoxycarbonyl, phenyl, or benzoyl, (i) CS-C7 cycloalkyl which may be substituted with C1-C4 alkoxycarbonyl or (j) R' and R2 may form, with the nitrogen atom attached thereto, (i) pyperazyl which may be substituted on the nitrogen atom with C1-C4 alkyl which may be further substituted with phenyl, (ii) piperidino which may be substituted with carboxyl or C1-C4 alkoxycarbonyl, (iii) pyrrolidyl which may be substituted with C1-C4 alkoxycarbonyl, or (iv) morpholyl; and R3 represents (a) hydrogen, (b) C1-C6 alkyl which may be substituted with (i) C1-C4 alkoxy, (ii) phenyl, or (iii) pyridyl, or (c) pyridyl; or a pharmaceutically acceptable acid salt thereof. This phenylalanine derivative is effective as a proteinase.

  具有以下式（I）的苯丙氨酸衍生物：其中A代表（a）H2N-，（b）或B代表（a）（b）或其中m为0、1或2，n为3、4或5；X代表（a）羟基，（b）硝基，（c）氨基，（d）苯氧基，其可以被（i）卤素或（ii）硝基取代，（e）C1-C4烷氧基，其可以被（i）苯基或（ii）苯甲酰基取代，（f）苯甲酰基，（g）吡啶氧基，其可以被（i）卤素或（ii）硝基取代，或（h）C1-C4烷基，其可以被卤素取代；Y代表或-OR3，其中R1和R2独立地为（a）氢，（b）苯基，其可以被（i）苯甲酰基，（ii）C1-C4烷基羰基，（iii）C1-C4烷基，其可以进一步被C1-C4烷氧羰基或羟基羰基取代，（iv）C2-Cs烯烃基，其可以进一步被羟基羰基或C1-C4烷氧羰基取代，（v）C1-C4烷氧羰基，或（vi）酰胺基，（c）吡啶基，其可以被卤素或羧基取代（d）咪唑基，（e）嘧啶基，（f）四唑基，（g）噻唑基，其可以被C1-C4烷基取代，其可以进一步被C1-C4烷氧羰基取代，（h）C1-C6烷基，其可以被C1-C4烷氧基，C1-C4烷氧羰基，苯基或苯甲酰基取代，（i）C5-C7环烷基，其可以被C1-C4烷氧羰基取代或（j）R'和R2可以与其连接的氮原子形成（i）哌嗪基，其可以在氮原子上被C1-C4烷基取代，其可以进一步被苯基取代，（ii）哌啶基，其可以被羧基或C1-C4烷氧羰基取代，（iii）吡咯基，其可以被C1-C4烷氧羰基取代，或（iv）吗啉基；R3代表（a）氢，（b）C1-C6烷基，其可以被（i）C1-C4烷氧基，（ii）苯基或（iii）吡啶基取代，或（c）吡啶；或其药学上可接受的酸盐。该苯丙氨酸衍生物作为蛋白酶具有有效性。
• 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。
• Complex compounds based on cyclodextrins
  申请人：TEIKOKU CHEMICAL INDUSTRY CO., LTD.

  公开号：EP0078599B1

  公开（公告）日：1986-11-12
• NITTA, MASAXIRO;SAKAMOTO, FUMIO;TSUKAMOTO, GORO
  作者：NITTA, MASAXIRO、SAKAMOTO, FUMIO、TSUKAMOTO, GORO

  DOI：——

  日期：——