1-n-butyl-4,5-dichloroimidazole | 832154-99-1

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 英文名称: 1-n-butyl-4,5-dichloroimidazole
• 英文别名: 1-Butyl-4,5-dichloro-1h-imidazole；1-butyl-4,5-dichloroimidazole
• CAS: 832154-99-1
• 化学式: C₇H₁₀Cl₂N₂
• 分子量: 193.076
• InChiKey: JOPLKBSVSJWKOQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  11
• 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：

  1-n-butyl-4,5-dichloroimidazole 、 2-溴甲基萘 以 乙腈 为溶剂， 生成 1-Butyl-4,5-dichloro-3-(naphthalen-2-ylmethyl)imidazolium bromide
  参考文献：
  名称：

  [EN] AZOLIUM AND PURINIUM SALT ANTICANCER AND ANTIMICROBIAL AGENTS
  [FR] ANTIMICROBIENS ET ANTINÉOPLASIQUES DE SELS D'AZOLIUM ET DE PURINIUM

  摘要：

  单电荷和多电荷咪唑阳离子（ICs）已被确认为一类具有强效抗肿瘤、抗菌和抗微生物特性的化学成分。所披露的咪唑阳离子对癌细胞表现出比当前临床标准顂铂更高或相等的效力。然而，这些咪唑阳离子在不引起类似顂铂等重金属抗肿瘤药物已知的毒副作用的情况下实现了这种功效。

  公开号：

  WO2012149523A1
• 作为产物：
  描述：

  1-碘丁烷 、 4,5-二氯咪唑 在 potassium hydroxide 作用下， 以 乙腈 为溶剂， 反应 0.5h， 生成 1-n-butyl-4,5-dichloroimidazole
  参考文献：
  名称：

  [EN] AZOLIUM AND PURINIUM SALT ANTICANCER AND ANTIMICROBIAL AGENTS
  [FR] ANTIMICROBIENS ET ANTINÉOPLASIQUES DE SELS D'AZOLIUM ET DE PURINIUM

  摘要：

  单电荷和多电荷咪唑阳离子（ICs）已被确认为一类具有强效抗肿瘤、抗菌和抗微生物特性的化学成分。所披露的咪唑阳离子对癌细胞表现出比当前临床标准顂铂更高或相等的效力。然而，这些咪唑阳离子在不引起类似顂铂等重金属抗肿瘤药物已知的毒副作用的情况下实现了这种功效。

  公开号：

  WO2012149523A1

文献信息

• Substituted (heterocycloalkyl)methyl azole derivatives as c5a receptor modulators
  申请人：Zhang Suoming

  公开号：US20060154917A1

  公开（公告）日：2006-07-13

  (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 CH 2 ; 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.

  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。
• AZOLIUM AND PURINIUM SALT ANTICANCER AND ANTIMICROBIAL AGENTS
  申请人：Youngs Wiley

  公开号：US20140142307A1

  公开（公告）日：2014-05-22

  Singly and multiply charged imidazolium cations (ICs) have been identified as a class of chemical compositions that possess potent antineoplastic, antibacterial and antimicrobial properties. The imidazolium cations disclosed demonstrate greater or equivalent potency towards cancerous cells as the current clinical standard, cisplatin. These imidazolium cations, however, achieve this efficacy without any of the known toxic side effects caused by heavy metal-based antineoplastic drugs such as cisplati.

  单电荷和多电荷咪唑阳离子（ICs）已被确定为一类具有强效抗肿瘤、抗菌和抗微生物特性的化学成分。所公开的咪唑阳离子在对癌细胞的作用上表现出与当前临床标准药物顺铂相当或更强的效力。然而，这些咪唑阳离子在不像顺铂这样的重金属抗肿瘤药物所知的毒性副作用下，就能实现这种功效。
• Anti-tumor activity of lipophilic imidazolium salts on select NSCLC cell lines
  作者：Brian D. Wright、Michael C. Deblock、Patrick O. Wagers、Ernest Duah、Nikki K. Robishaw、Kerri L. Shelton、Marie R. Southerland、Michael A. DeBord、Kortney M. Kersten、Lucas J. McDonald、Jason A. Stiel、Matthew J. Panzner、Claire A. Tessier、Sailaja Paruchuri、Wiley J. Youngs

  DOI：10.1007/s00044-015-1330-z

  日期：2015.7

  The anti-tumor activity of imidazolium salts is highly dependent upon the substituents on the nitrogen atoms of the imidazolium cation. We have synthesized and characterized a series of naphthalene-substituted imidazolium salts and tested them against a variety of non-small-cell lung cancer cell lines. Several of these complexes displayed anticancer activity comparable to cisplatin. These compounds induced apoptosis in the NCI-H460 cell line as determined by Annexin V staining, caspase-3, and PARP cleavage. These results strongly suggest that this class of compounds can serve as potent chemotherapeutic agents.
• Highly Stable Cp*−Ir(III) Complexes with <i>N</i>-Heterocyclic Carbene Ligands as C−H Activation Catalysts for the Deuteration of Organic Molecules
  作者：Rosa Corberán、Mercedes Sanaú、Eduardo Peris

  DOI：10.1021/ja058253l

  日期：2006.3.1

  The preparation of a series of complexes of the type Cp*IrX2(NHC) provides effective catalysts for the H/D exchange of a wide range of organic molecules in methanol-d(4). The reaction proceeds with higher yields under milder reaction conditions than previous Cp*Ir systems reported thus far. For comparative purposes, we also studied the catalytic activity of Cp*IrCl2(PMe3) under the same reaction conditions. The molecular structures of two of the new Cp*Ir(NHC) complexes are described.
• US9278951B2
  申请人：——

  公开号：US9278951B2

  公开（公告）日：2016-03-08