(3,4-dichlorobenzylamine)monocarboxamide | 65653-87-4

• 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: (3,4-dichlorobenzylamine)monocarboxamide
• 英文别名: <3,4-Dichlor-benzyl>-harnstoff；(3,4-Dichlor-benzyl)-harnstoff；(3,4-Dichlorophenyl)methylurea
• CAS: 65653-87-4
• 化学式: C₈H₈Cl₂N₂O
• 分子量: 219.07
• InChiKey: DDMMVFOKMDSIJT-UHFFFAOYSA-N

物化性质

• 熔点：
  163.5-164.5 °C
• 沸点：
  348.6±42.0 °C(Predicted)
• 密度：
  1.406±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (3,4-dichlorobenzylamine)monocarboxamide 在 氢氧化钾 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 11.0h， 生成 ethyl 1-(3,4-dichlorobenzyl)-2,4,5-trioxoimidazolidine-3-acetate
  参考文献：
  名称：

  Highly Selective Aldose Reductase Inhibitors. 1. 3-(Arylalkyl)-2,4,5-trioxoimidazolidine-1-acetic Acids

  摘要：

  A series of 3-(arylalkyl)-2,4,5-trioxoimidazolidine-1-acids (1) was prepared and tested for aldose reductase (AR) and aldehyde reductase (ALR) inhibitory activities. These compounds showed strong inhibitory activity against AR without significant inhibitory activity for ALR. The ratio of IC50(ALR)/IC50(AR) was > 1000 in some compouds. On the basis of pharmacological tests such as the recovery of reduced motor nerve conduction velocity and toxicological profile, 3-(3-nitrobenzyl)-2,4,5-trioxoimidazolidine-1-acid (NZ-314) was selected as the candidate for clinical development.

  DOI：

  10.1021/jm9508393
• 作为产物：
  描述：

  二丁基丙基膦酸酯 、 尿素 在 盐酸 作用下， 以 水 为溶剂， 反应 3.0h， 生成 (3,4-dichlorobenzylamine)monocarboxamide
  参考文献：
  名称：

  Highly Selective Aldose Reductase Inhibitors. 1. 3-(Arylalkyl)-2,4,5-trioxoimidazolidine-1-acetic Acids

  摘要：

  A series of 3-(arylalkyl)-2,4,5-trioxoimidazolidine-1-acids (1) was prepared and tested for aldose reductase (AR) and aldehyde reductase (ALR) inhibitory activities. These compounds showed strong inhibitory activity against AR without significant inhibitory activity for ALR. The ratio of IC50(ALR)/IC50(AR) was > 1000 in some compouds. On the basis of pharmacological tests such as the recovery of reduced motor nerve conduction velocity and toxicological profile, 3-(3-nitrobenzyl)-2,4,5-trioxoimidazolidine-1-acid (NZ-314) was selected as the candidate for clinical development.

  DOI：

  10.1021/jm9508393

文献信息

• STRUCTURES OF CYCLOHEXANONE–UREA CONDENSATION PRODUCTS
  作者：C. Podesva、E. J. Tarlton、A. F. McKay

  DOI：10.1139/v62-215

  日期：1962.7.1

  A new series of urea derivatives was prepared by condensing cyclohexanone with urea, thiourea, and their monosubstituted derivatives.

  通过将环己酮与尿素、硫脲及它们的单取代衍生物缩合，制备了一系列新的脲衍生物。
• FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS
  申请人：Appleyard Antony Nicholas

  公开号：US20130137630A1

  公开（公告）日：2013-05-30

  Described is a A liquid colloidal pharmaceutical formulation of a type B lantibiotic for infusion or direct injection comprising a type B lantibiotic or a salt thereof, an isotonic aqueous solution comprising a sugar alcohol such as glycerol and/or a saccharide and optionally a buffer, wherein said final formulation for infusion or direct injection is clear of visual particulates.

  描述了一种用于输液或直接注射的B型兰替生物抗生素液体胶体制剂，包括B型兰替生物抗生素或其盐，含有糖醇（如甘油）和/或糖类的等渗水溶液，以及可选的缓冲剂，其中用于输液或直接注射的最终制剂不含有可见颗粒。
• Compounds
  申请人：Wadman Sjoerd Nicolaas

  公开号：US20110294723A1

  公开（公告）日：2011-12-01

  The present disclosure relates to compounds of formula (II): pharmaceutical compositions comprising same and use of the compounds and compositions for the treatment of microbial infection, particularly Methicillin-resistant Staphylococcus aureus (MRSA) infection.

  本公开涉及化合物的公式（II）：包括相同的药物组合物以及用于治疗微生物感染，特别是耐甲氧西林金黄色葡萄球菌（MRSA）感染的化合物和组合物的用途。
• Antibacterial Sulfone and Sulfoxide Substituted Heterocyclic Urea Compounds
  申请人：Guiles Joseph

  公开号：US20100286169A1

  公开（公告）日：2010-11-11

  The present invention provides novel sulfone and sulfoxide substituted heterocyclic urea compounds having useful antibacterial activity. Use of these compounds as pharmaceutical compositions and methods of production are provided.

  本发明提供了一种新型的磺酰基和亚磺酰基取代的杂环脲化合物，具有有用的抗菌活性。本发明还提供了这些化合物作为药物组成物的使用和生产方法。
• Borgna; Vicarini; Carmellino, Farmaco, Edizione Scientifica, 1980, vol. 35, # 12, p. 1034 - 1038
  作者：Borgna、Vicarini、Carmellino

  DOI：——

  日期：——