2-bromo-1-butyl-4,5-dichloro-1H-imidazole | 666834-27-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-bromo-1-butyl-4,5-dichloro-1H-imidazole
• 英文别名: 2-bromo-1-butyl-4,5-dichloroimidazole
• CAS: 666834-27-1
• 化学式: C₇H₉BrCl₂N₂
• 分子量: 271.972
• InChiKey: KZWCKNKDXLTORI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-bromo-1-butyl-4,5-dichloro-1H-imidazole 、 2,6-二甲基苯硼酸 在 四(三苯基膦)钯 ethyl acetate n-hexane 作用下， 以 甲苯 为溶剂， 反应 16.0h， 以to yield compound 5的产率得到1-Butyl-4,5-dichloro-2-(2,6-dimethylphenyl)-1H-imidazole
  参考文献：
  名称：

  Substituted (heterocycloalkyl)methyl azole derivatives as c5a receptor modulators

  摘要：

  提供公式（I）的（杂环烷基）甲基唑衍生物：公式I其中A为氧、硫或NR; J和K和每个L独立地为氧、硫、NH或CH2; 其余变量在此定义。这些化合物是C5a受体的调节剂，且优选具有高亲和力并在C5a受体上表现为中性拮抗剂或反向激动剂活性。本文还提供了包含这些化合物的药物组合物，以及使用这些化合物治疗多种炎症和免疫系统疾病的方法。

  公开号：

  US20060154917A1

文献信息

• [EN] AMINO METHYL IMIDAZOLES AS C5A RECEPTOR MODULATORS<br/>[FR] AMINOMETHYL IMIDAZOLES EN TANT QUE MODULATEURS DE RECEPTEURS C5A
  申请人：NEUROGEN CORP

  公开号：WO2004018460A1

  公开（公告）日：2004-03-04

  Amino methyl imidazoles of Formula (I) are provided: wherein R, Rl, R2, R3, R4, R5, and R6 are defined herein.Such compounds are ligands of C5a receptors. Preferred compounds of Formula (I) 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, cardiovascular, and immune system disorders. Additionally, this invention provides labeled amino methyl imidazoles compounds, which are useful as probes for the localization of C5a receptors.

  本发明提供了化学式（I）中的氨甲基咪唑衍生物：其中R，Rl，R2，R3，R4，R5和R6如本文所定义。这些化合物是C5a受体的配体。化学式（I）的优选化合物具有高亲和力与C5a受体结合，并在C5a受体上表现为中性拮抗剂或逆激动剂活性。本发明还涉及包含这些化合物的制药组合物。它进一步涉及使用这些化合物治疗各种炎症、心血管和免疫系统疾病。此外，本发明提供了标记的氨甲基咪唑衍生物化合物，它们可用作定位C5a受体的探针。
• Amino methyl imidazoles and related compounds as C5a receptor modulators
  申请人：Thurkauf Andrew

  公开号：US20070212297A1

  公开（公告）日：2007-09-13

  Amino methyl imidazoles of Formula I are provided: wherein R, R 1 , R 2 , R 3 , R 4 , R 5 , and R 6 are defined herein. Such compounds are ligands of C5a receptors. Preferred compounds of Formula I 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, cardiovascular, and immune system disorders. Additionally, this invention provides labeled amino methyl imidazoles compounds, which are useful as probes for the localization of C5a receptors.

  提供了式I的氨甲基咪唑：其中R，R1，R2，R3，R4，R5和R6如本文所定义。这些化合物是C5a受体的配体。式I的优选化合物以高亲和力结合C5a受体，并在C5a受体上表现出中性拮抗剂或反向激动剂活性。本发明还涉及包含这种化合物的制药组合物。它还涉及使用这种化合物治疗各种炎症，心血管和免疫系统疾病。此外，本发明提供了标记的氨甲基咪唑化合物，可用作C5a受体定位的探针。
• US7169775B2
  申请人：——

  公开号：US7169775B2

  公开（公告）日：2007-01-30
• US8007767B2
  申请人：——

  公开号：US8007767B2

  公开（公告）日：2011-08-30
• [EN] SUBSTITUTED (HETEROCYCLOALKYL)METHYL AZOLE DERIVATIVES AS C5A RECEPTOR MODULATORS<br/>[FR] DERIVES (HETEROCYCLOALKYL)METHYLE SUBSTITUES DE TYPE AZOLE UTILISES COMME MODULATEURS DES RECEPTEURS C5A
  申请人：NEUROGEN CORP

  公开号：WO2005007087A2

  公开（公告）日：2005-01-27

  (Heterocycloalkyl)methyl azole derivatives of Formula (I) are provided: Formula I wherein A is oxygen, sulfur, or NR; J and K and each L are independently oxygen, sulfur, NH, or CH2; and the remaining variables are defined herein. Such compounds are modulators of C5a receptors, and preferably bind to C5a receptors with high affinity and exhibit neutral antagonist or inverse agonist activity at C5a receptors. Also provided herein are pharmaceutical compositions comprising such compounds, as well as methods for using such compounds in treating a variety of inflammatory and immune system disorders.