3-(1H-imidazol-4-yl)propyl N-(4-methylpentyl)carbamate | 1202243-14-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(1H-imidazol-4-yl)propyl N-(4-methylpentyl)carbamate
• 英文别名: 3-(1H-imidazol-4-yl)propyl 4-methylpentylcarbamate；3-(1H-imidazol-5-yl)propyl N-(4-methylpentyl)carbamate
• CAS: 1202243-14-8
• 化学式: C₁₃H₂₃N₃O₂
• 分子量: 253.345
• InChiKey: SLNNRHSUBZSDIV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  18
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  67
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(1H-imidazol-4-yl)propyl N-(4-methylpentyl)carbamate 、 顺丁烯二酸 以 乙醇 、 水 为溶剂， 生成 3-(1H-imidazol-4-yl)propyl N-(4-methylpentyl)carbamate hydrogen maleate
  参考文献：
  名称：

  Histamine H3 and H4 receptor affinity of branched 3-(1H-imidazol-4-yl)propyl N-alkylcarbamates

  摘要：

  A series of imidazole-containing (non-)chiral carbamates were tested at human histamine H-3 receptor (H3R). All compounds displayed K-i values below 100 nM. A trend for a stereoselectivity at human H3R was observed for the chiral alpha-branched ligands. Selected compounds were also tested at human histamine H-4 receptor and showed moderate to weak affinities (118-1460 nM). (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.005
• 作为产物：
  描述：

  1-异氰酸基-4-甲基戊烷 、 3-(1H-imidazol-4-yl)propanol hydrochloride 以 乙腈 为溶剂， 生成 3-(1H-imidazol-4-yl)propyl N-(4-methylpentyl)carbamate
  参考文献：
  名称：

  Histamine H3 and H4 receptor affinity of branched 3-(1H-imidazol-4-yl)propyl N-alkylcarbamates

  摘要：

  A series of imidazole-containing (non-)chiral carbamates were tested at human histamine H-3 receptor (H3R). All compounds displayed K-i values below 100 nM. A trend for a stereoselectivity at human H3R was observed for the chiral alpha-branched ligands. Selected compounds were also tested at human histamine H-4 receptor and showed moderate to weak affinities (118-1460 nM). (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.005