tert-butyl (1-((((4-chlorobenzyl)amino)sulfonyl)methyl)-5-(1-(triphenylmethyl) imidazol-4-yl)pentyl) carbonate | 220378-02-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: tert-butyl (1-((((4-chlorobenzyl)amino)sulfonyl)methyl)-5-(1-(triphenylmethyl) imidazol-4-yl)pentyl) carbonate
• 英文别名: Tert-butyl [1-[(4-chlorophenyl)methylsulfamoyl]-6-(1-tritylimidazol-4-yl)hexan-2-yl] carbonate
• CAS: 220378-02-9
• 化学式: C₄₀H₄₄ClN₃O₅S
• 分子量: 714.325
• InChiKey: FGFINYXFOWYSNB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  50
• 可旋转键数：
  18
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  tert-butyl (1-((((4-chlorobenzyl)amino)sulfonyl)methyl)-5-(1-(triphenylmethyl) imidazol-4-yl)pentyl) carbonate 在 三氟乙酸 作用下， 生成 2-hydroxy-4-(1H-imidazol-4-yl)hexane-1-sulfonic acid 4-chlorobenzylamide
  参考文献：
  名称：

  ω-(Imidazol-4-yl)alkane-1-sulfonamides: a new series of potent histamine H3 receptor antagonists

  摘要：

  omega-(1H-imidazol-4-yl)alkane-1-sulfonamides were prepared and found to be potent histamine H-3 receptor antagonists. High receptor affinity and a low difference in the data between the bioassays were achieved with 5-(1H-imidazol-4-yl)pentane-1-sulfonic acid 4-chlorobenzylamide (16). Good in vitro profiles were also obtained for 2-hydroxysulfonamide and vinylsulfonamide analogues. This complements and completes the existing set of imidazole-based sulfonamides and sulfamides. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(01)00295-4
• 作为产物：
  描述：

  N-(4-氯苄基)甲磺酰胺 在 4-二甲氨基吡啶 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 19.5h， 生成 tert-butyl (1-((((4-chlorobenzyl)amino)sulfonyl)methyl)-5-(1-(triphenylmethyl) imidazol-4-yl)pentyl) carbonate
  参考文献：
  名称：

  ω-(Imidazol-4-yl)alkane-1-sulfonamides: a new series of potent histamine H3 receptor antagonists

  摘要：

  omega-(1H-imidazol-4-yl)alkane-1-sulfonamides were prepared and found to be potent histamine H-3 receptor antagonists. High receptor affinity and a low difference in the data between the bioassays were achieved with 5-(1H-imidazol-4-yl)pentane-1-sulfonic acid 4-chlorobenzylamide (16). Good in vitro profiles were also obtained for 2-hydroxysulfonamide and vinylsulfonamide analogues. This complements and completes the existing set of imidazole-based sulfonamides and sulfamides. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(01)00295-4

文献信息

• ω-(Imidazol-4-yl)alkane-1-sulfonamides: a new series of potent histamine H3 receptor antagonists
  作者：Matthew J. Tozer、Ildiko M. Buck、Tracey Cooke、S.Barret Kalindjian、Michael J. Pether、Katherine I.M. Steel

  DOI：10.1016/s0968-0896(01)00295-4

  日期：2002.2

  omega-(1H-imidazol-4-yl)alkane-1-sulfonamides were prepared and found to be potent histamine H-3 receptor antagonists. High receptor affinity and a low difference in the data between the bioassays were achieved with 5-(1H-imidazol-4-yl)pentane-1-sulfonic acid 4-chlorobenzylamide (16). Good in vitro profiles were also obtained for 2-hydroxysulfonamide and vinylsulfonamide analogues. This complements and completes the existing set of imidazole-based sulfonamides and sulfamides. (C) 2001 Elsevier Science Ltd. All rights reserved.