N-(1,3-benzodioxol-5-ylmethyl)-N-[(1-butyl-2,4-diphenyl-1H-imidazol-5-yl)methyl]ethanamine | 439565-79-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-(1,3-benzodioxol-5-ylmethyl)-N-[(1-butyl-2,4-diphenyl-1H-imidazol-5-yl)methyl]ethanamine
• 英文别名: N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]ethanamine
• CAS: 439565-79-4
• 化学式: C₃₀H₃₃N₃O₂
• 分子量: 467.611
• InChiKey: CBWAZBODXVZNQP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  35
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  39.5
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Derivatives of dioxane-2-alkyl carbamates, preparation thereof and application thereof in therapeutics
  申请人：Abouabdellah Ahmed

  公开号：US20050182130A1

  公开（公告）日：2005-08-18

  A compound corresponding to general formula (I): in which R 1 represents a phenyl or naphthalenyl group optionally substituted with one or more halogen atoms or hydroxyl, cyano, nitro, (C 1 -C 3 )alkyl, (C 1 -C 3 )alkoxy, trifluoromethyl, trifluoromethoxy, benzyloxy, (C 3 -C 6 )cycloalkyl—0— or (C 3 -C 6 )cycloalkyl(C 1 -C 3 )alkoxy groups; R 2 represents either a group of general formula CHR 3 CONHR 4 in which R 3 represents a hydrogen atom or a methyl group and R 4 represents a hydrogen atom or a (C 1 -C 3 )alkyl, (C 3 -C 5 )cycloalkyl or (pyridin-4-yl)methyl group; or a 2,2,2-trifluoroethyl group; or an (imidazol-2-yl)methyl group; or a (benzimidazol-2-yl)methyl group; or a phenyl group optionally substituted with one or more halogen atoms or cyano, nitro, (C 1 -C 3 )alkyl, (C 1 -C 3 )alkoxy, trifluoromethyl or trifluoromethoxy groups; and n represents a number ranging from 1 to 3; in the form of a base, of an addition salt with an acid, of a hydrate or of a solvate. Also disclosed and claimed are the pharmaceutical compositions derived therefrom and their therapeutic use in treating a wide variety of diseases.

  该化合物的通式为（I）：其中R1代表苯基或萘基，可选地取代一个或多个卤素原子或羟基，氰基，硝基，（C1-C3）烷基，（C1-C3）烷氧基，三氟甲基，三氟甲氧基，苄氧基，（C3-C6）环烷基-0-或（C3-C6）环烷基（C1-C3）烷氧基；R2代表通式CHR3CONHR4的基团，其中R3代表氢原子或甲基基团，R4代表氢原子或（C1-C3）烷基，（C3-C5）环烷基或（吡啶-4-基）甲基基团；或2,2,2-三氟乙基基团；或（咪唑-2-基）甲基基团；或（苯并咪唑-2-基）甲基基团；或苯基，可选地取代一个或多个卤素原子或氰基，硝基，（C1-C3）烷基，（C1-C3）烷氧基，三氟甲基或三氟甲氧基基团；n代表一个范围从1到3的数字；以碱形式，酸加成盐形式，水合物形式或溶剂合物形式出现。还公开和声明了从中得出的制药组合物及其治疗用于治疗各种疾病。
• DERIVATIVES OF DIOXAN-2-ALKYL CARBAMATES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPEUTICS
  申请人：ABOUABDELLAH Ahmed

  公开号：US20060247290A1

  公开（公告）日：2006-11-02

  A compound corresponding to general formula (I): in which R 1 represents a phenyl or naphthalenyl group optionally substituted with one or more halogen atoms or hydroxyl, cyano, nitro, (C 1 -C 3 ) alkyl, (C 1 -C 3 ) alkoxy, trifluoromethyl, trifluoromethoxy, benzyloxy, (C 3 -C 6 )cycloalkyl-O— or (C 3 -C 6 )cycloalkyl(C 1 -C 3 )alkoxy groups; R 2 represents either a group of general formula CHR 3 CONHR 4 in which R 3 represents a hydrogen atom or a methyl group and R 4 represents a hydrogen atom or a (C 1 -C 3 )alkyl, (C 3 -C 5 ) cycloalkyl or (pyridin-4-yl)methyl group; or a 2,2,2-trifluoroethyl group; or an (imidazol-2-yl)methyl group; or a (benzimidazol-2-yl)methyl group; or a phenyl group optionally substituted with one or more halogen atoms or cyano, nitro, (C 1 -C 3 )alkyl, (C 1 -C 3 )alkoxy, trifluoromethyl or trifluoromethoxy groups; and n represents a number ranging from 1 to 3; in the form of a base, of an addition salt with an acid, of a hydrate or of a solvate. Also disclosed and claimed are the pharmaceutical compositions derived therefrom and their therapeutic use in treating a wide variety of diseases.

  一种与通式（I）相对应的化合物：其中R1代表苯基或萘基，可选地取代一个或多个卤素原子或羟基，氰基，硝基，（C1-C3）烷基，（C1-C3）烷氧基，三氟甲基，三氟甲氧基，苄氧基，（C3-C6）环烷基-O-或（C3-C6）环烷基（C1-C3）烷氧基；R2代表通式CHR3CONHR4的一种基团，其中R3代表氢原子或甲基基团，R4代表氢原子或（C1-C3）烷基，（C3-C5）环烷基或（吡啶-4-基）甲基基团；或2,2,2-三氟乙基基团；或（咪唑-2-基）甲基基团；或（苯并咪唑-2-基）甲基基团；或苯基，可选地取代一个或多个卤素原子或氰基，硝基，（C1-C3）烷基，（C1-C3）烷氧基，三氟甲基或三氟甲氧基基团；n代表1到3之间的数；以碱，酸加成盐，水合物或溶剂化合物的形式披露和要求。还披露并要求了从中派生的药物组合物及其治疗广泛疾病的治疗用途。
• COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS
  申请人：NEUROGEN CORPORATION

  公开号：EP1490044A1

  公开（公告）日：2004-12-29
• EP1490044A4
  申请人：——

  公开号：EP1490044A4

  公开（公告）日：2008-04-16
• DERIVES DE DIOXANE-2-ALKYLCARBAMATES, LEUR PREPARATION ET LEUR APPLICATION EN THERAPEUTIQUE
  申请人：Sanofi-Aventis

  公开号：EP1537096B1

  公开（公告）日：2008-09-24