2-(4-Nitrobenzyl)-5-hydroxy-1H-imidazol-4-carboxamid | 70180-60-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(4-Nitrobenzyl)-5-hydroxy-1H-imidazol-4-carboxamid
• 英文别名: 2-(4-nitro-benzyl)-5-oxo-4,5-dihydro-1H-imidazole-4-carboxylic acid amide；2-(4-Nitrobenzyl)-5-hydroxy-1H-imidazole-4-carboxamide；4-hydroxy-2-[(4-nitrophenyl)methyl]-1H-imidazole-5-carboxamide
• CAS: 70180-60-8
• 化学式: C₁₁H₁₀N₄O₄
• 分子量: 262.225
• InChiKey: HFAWLWGKVXYFEU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  138
• 氢给体数：
  3
• 氢受体数：
  5

文献信息

• Water-soluble antitumor, antiviral and immunosuppressant compounds
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0063481A1

  公开（公告）日：1982-10-27

  Water-soluble antitumor, antiviral and immunosuppressant compounds the formula: wherein either R, or R2 is a hydrogen atom, a hydroxy group, an acyloxy group, a phthalimido group or an acetamido group and the other is a hydrogen atom; either R3 or R4 is a hydroxy group or an acyloxy group and the other is a hydrogen atom; either Rs or R6 is a hydroxy group or an acyloxy group and the other is a hydrogen atom; either R7 or R8 is a hydrogen atom, a methyl group, a hydroxymethyl group, an acyloxymethyl group, an alkoxycarbonyl group, a group of the formula: (wherein X, and X2 are a hydrogen atom or a lower alkyl group), or a carboxyl group and the other is a hydrogen atom; either R11 or R12 is a hydrogen atom, a hydroxy group or an acyloxy group and the other is a hydrogen atom; either R,3 or R14 is a hydroxy group or an acyloxy group and the other is a hydrogen atom; and either R,s or R16 is a methyl group, a hydroxymethyl group or an acyloxymethyl group and the other is a hydrogen atom. These tautomeric compounds are prepared from the corresponding 4-carbamoylimidazolium-5-olate and carbohydrate derivatives and can be made up with conventional excipients into various dosage forms including, because of their water- solubility, injections and drops.

  式中的水溶性抗肿瘤、抗病毒和免疫抑制剂化合物： 其中 R 或 R2 为氢原子、羟基、酰氧基、酞酰亚胺基或乙酰氨基，另一个为氢原子； R3 或 R4 为羟基或酰氧基，另一个为氢原子；Rs 或 R6 是羟基或酰氧基，另一个是氢原子； R7 或 R8 是氢原子、甲基、羟甲基、酰氧基甲基、烷氧羰基、式中的基团： (其中 X 和 X2 是氢原子或低级烷基）或羧基，另一个是氢原子；R11 或 R12 是氢原子、羟基或酰氧基，另一个是氢原子；R,3 或 R14 是羟基或酰氧基，另一个是氢原子；R,s 或 R16 是甲基、羟甲基或酰氧基，另一个是氢原子。这些同分异构体化合物由相应的 4-氨基甲酰基咪唑鎓-5-酸盐和碳水化合物衍生物制备而成，可与常规辅料配制成各种剂型，包括注射剂和滴剂，因为它们具有水溶性。
• US4218457A
  申请人：——

  公开号：US4218457A

  公开（公告）日：1980-08-19