1-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-{[1-butyl-2-(2,6-dimethylphenyl)-4-phenyl-1H-imidazol-5-yl]methyl}methanamine | 610288-16-9

• 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-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-{[1-butyl-2-(2,6-dimethylphenyl)-4-phenyl-1H-imidazol-5-yl]methyl}methanamine
• 英文别名: 1-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-[[3-butyl-2-(2,6-dimethylphenyl)-5-phenylimidazol-4-yl]methyl]methanamine
• CAS: 610288-16-9
• 化学式: C₃₈H₃₉N₃O₄
• 分子量: 601.745
• InChiKey: OSCZOOPTNOFFOF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  45
• 可旋转键数：
  11
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  58
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• [EN] NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS<br/>[FR] ARYL IMIDAZOLES ET COMPOSES ASSOCIES, MODULATEURS DE RECEPTEUR C5A
  申请人：NEUROGEN CORP

  公开号：WO2003082829A1

  公开（公告）日：2003-10-09

  The invention provides Aryl substituted imidazoles, pyrazoles, pyridizines and related compounds of the Formula (I) where the ring system represented by Formula (A) is a 5 membered heteroaryl ring system, in which x is 0, A is chosen from carbon and heteroatoms nitrogen, oxygen, and sulfur, and E and G are independently carbon or nitrogen, provided that the 5 membered heteroaryl ring system does not contain more than 3 heteroatoms or more than 1 oxygen or sulfur atom, or a 6 membered heteroaryl ring system, in which x is 1, A, B, E, and G are independently chosen from carbon and nitrogen, provided that the 6 membered heteroaryl ring system does not contain more than 3 nitrogen atoms. The remaining variables, Ar1, Ar2, R, R1, R2, R3, R4, R5, R6, y and z are defined herein. Such compounds are ligands of C5a receptors. Preferred compounds of the invention act bind to C5a receptors with high affinity and exhibit neutral antagonist or inverse agonist activity at C5a receptors. This invention also relates to pharmaceutical compositions comprising such compounds. It further relates to the use of such compounds in treating a variety of inflammatory and immune system disorders.

  该发明提供了式（I）中的芳基取代咪唑、吡唑、吡啶和相关化合物，其中由式（A）表示的环系统是一个5成员杂芳基环系统，在该环系统中x为0，A从碳和杂原子氮、氧和硫中选择，E和G分别为碳或氮，前提是5成员杂芳基环系统不含超过3个杂原子或超过1个氧或硫原子，或者是一个6成员杂芳基环系统，在该环系统中x为1，A、B、E和G分别从碳和氮中选择，前提是6成员杂芳基环系统不含超过3个氮原子。其余变量Ar1、Ar2、R、R1、R2、R3、R4、R5、R6、y和z在此处定义。这些化合物是C5a受体的配体。该发明的优选化合物具有高亲和力结合到C5a受体，并且在C5a受体上表现为中性拮抗剂或逆激动剂活性。该发明还涉及包含这些化合物的药物组合物。它进一步涉及使用这些化合物治疗各种炎症和免疫系统疾病。
• NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS
  申请人：Neurogen Corporation

  公开号：EP1490343A1

  公开（公告）日：2004-12-29
• US7186734B2
  申请人：——

  公开号：US7186734B2

  公开（公告）日：2007-03-06
• US8119665B2
  申请人：——

  公开号：US8119665B2

  公开（公告）日：2012-02-21