1-(2-cyclohexylethyl)-5-(2,5-dimethoxy-4-methylphenyl)-3-amino-1,2,4-triazole | 418765-60-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(2-cyclohexylethyl)-5-(2,5-dimethoxy-4-methylphenyl)-3-amino-1,2,4-triazole
• 英文别名: 1-(2-cyclohexylethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1H-1,2,4-triazol-3-amine；1-(2-cyclohexylethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1,2,4-triazol-3-amine
• CAS: 418765-60-3
• 化学式: C₁₉H₂₈N₄O₂
• 分子量: 344.457
• InChiKey: VTYWQNVMKMXFTE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  75.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(2-cyclohexylethyl)-5-(2,5-dimethoxy-4-methylphenyl)-3-amino-1,2,4-triazole 、 4,5-dimethyl-6-methoxy-1-(3-methoxy-3-oxopropyl)-1H-indole-2-carboxylic acid 在 吡啶 、 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 反应 19.0h， 以83%的产率得到methyl 3-[2-[[[1-(2-cyclohexylethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]carbonyl]-6-methoxy-4,5-dimethyl-1H-indol-1-yl]propanoate
  参考文献：
  名称：

  Triazole derivatives and pharmaceutical compositions comprising them

  摘要：

  本发明涉及化合物的公式（I）及其药学上可接受的盐、溶剂、水合物和多型体。这些化合物是强效且选择性的CCK1受体激动剂。

  公开号：

  US20040019091A1
• 作为产物：
  描述：

  N-[1-(2-cyclohexylethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1,2,4-triazol-3-yl]-1,1-diphenylmethanimine 在 盐酸 作用下， 以 甲醇 、 水 为溶剂， 反应 18.0h， 以90%的产率得到1-(2-cyclohexylethyl)-5-(2,5-dimethoxy-4-methylphenyl)-3-amino-1,2,4-triazole
  参考文献：
  名称：

  Triazole derivatives and pharmaceutical compositions comprising them

  摘要：

  本发明涉及化合物的公式（I）及其药学上可接受的盐、溶剂、水合物和多型体。这些化合物是强效且选择性的CCK1受体激动剂。

  公开号：

  US20040019091A1

文献信息

• Process for the preparation of 1,5-disubstituted-3-amino-1,2,4,-triazoles and substituted aminoguanidines as intermediate compounds
  申请人：——

  公开号：US20040039203A1

  公开（公告）日：2004-02-26

  New process for the preparation of 1,5-disubstituted-3-amino-1,2,4-triazoles of the general formula (I), wherein the meaning of R is C 1-5 alkyl group; C 3-13 cycloalkyl-C 0-4 alkyl group, optionally substituted by one or more C 1-3 alkyl group; phenyl-C 0-2 alkyl-, (CH 2 ) n -morpholino-, piperidino-, pyrrolidino- or piperazino-group, optionally substituted by one or more halogen atom, C 1-3 alkyl group, C 1-3 alkoxy group, n is 1-5, R 1 , R 2 , R 3 , and R 4 stand independently for hydrogen, halogen, C 1-6 alkyl group, C 1-3 alkoxy group or trifuluoromethyl group, with the proviso that of the substituents R 1 , R 2 , R 3 , and R 4 at least one stands for hydrogen.

  新的制备1,5-二取代-3-氨基-1,2,4-三唑通式（I）的方法，其中R的含义为C1-5烷基；C3-13环烷基-C0-4烷基，可选择地被一个或多个C1-3烷基取代；苯基-C0-2烷基，（CH2）n-吗啉基，哌啶基，吡咯烷基或哌嗪基，可选择地被一个或多个卤原子，C1-3烷基，C1-3烷氧基取代，n为1-5，R1，R2，R3和R4独立地代表氢，卤素，C1-6烷基，C1-3烷氧基或三氟甲基基团，但须满足其中至少一个取代基R1，R2，R3和R4代表氢。
• TRIAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM
  申请人：SANOFI-SYNTHELABO

  公开号：EP1335914A1

  公开（公告）日：2003-08-20
• PROCESS FOR THE PREPARATION OF 1,5-DISUBSTITUATED-3-AMINO-1,2,4-TRIAZOLES AND SUBSTITUTED AMINOGUANIDINES AS INTERMEDIATE COMPOUNDS
  申请人：SANOFI-SYNTHELABO

  公开号：EP1337519A1

  公开（公告）日：2003-08-27
• [EN] TRIAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM<br/>[FR] DERIVES DE TRIAZOLE ET COMPOSITIONS PHARMACEUTIQUES LES COMPRENANT
  申请人：SANOFI SYNTHELABO

  公开号：WO2002034743A1

  公开（公告）日：2002-05-02

  The present invention relates to compounds of formula (I) and their pharmaceutically acceptable salts, solvates, hydrates and polymorphs. These compounds are powerful and selective CCK1 receptor agonists.
• [EN] PROCESS FOR THE PREPARATION OF 1,5-DISUBSTITUTED-3-AMINO-1,2,4-TRIAZOLES AND SUBSTITUTED AMINOGUANIDINES AS INTERMEDIATE COMPOUNDS<br/>[FR] PROCEDE DE PREPARATION DE 3-AMINO-1,2,4-TRIAZOLES DISUBSTITUES EN 1,5 ET AMINOGUANIDINES SUBSTITUEES EN TANT QUE COMPOSES INTERMEDIAIRES
  申请人：SANOFI SYNTHELABO

  公开号：WO2002034729A1

  公开（公告）日：2002-05-02

  New process for the preparation of 1,5-disubstituted-3-amino-1,2,4-triazoles of the general formula (I), wherein the meaning of R is C1-5alkyl group; C3-13cycloalkyl-C0-4alkyl group, optionally substituted by one or more C1-3alkyl group; phenyl-C0-2alkyl-, (CH2)n-morpholino-, piperidino-, pyrrolidino- or piperazino-group, optionally substituted by one or more halogen atom, C1-3alkyl group, C1-3alkoxy group, n is 1-5, R?1, R2, R3, and R4¿ stand independently for hydrogen, halogen, C¿1-6?alkyl group, C1-3alkoxy group or trifuluoromethyl group, with the proviso that of the substituents R?1, R2, R3, and R4¿ at least one stands for hydrogen.