N-(3',5'-dichlorobenzyl)-1,3-diaminopropane | 1184374-82-0

• 物质功能分类: 有机原料 - 氨基化合物
• 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: N-(3',5'-dichlorobenzyl)-1,3-diaminopropane
• 英文别名: N-(3,5-dichlorobenzyl)propane-1,3-diamine；(3-Aminopropyl)[(3,5-dichlorophenyl)methyl]amine；N'-[(3,5-dichlorophenyl)methyl]propane-1,3-diamine
• CAS: 1184374-82-0
• 化学式: C₁₀H₁₄Cl₂N₂
• 分子量: 233.141
• InChiKey: RMZRUFXPUSGZHK-UHFFFAOYSA-N

物化性质

• 沸点：
  334.8±32.0 °C(Predicted)
• 密度：
  1.216±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  38
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(3',5'-dichlorobenzyl)-1,3-diaminopropane 在 三异丙基硅基三氟甲磺酸酯 、 potassium carbonate 、 N,N-二异丙基乙胺 、 三氟乙酸 、 肼 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 水 、 乙腈 为溶剂， 反应 0.5h， 生成 1-[3-[(3,5-Dichlorophenyl)methylamino]propyl]-3-(4-hydroxyphenyl)urea
  参考文献：
  名称：

  Urea-Based Inhibitors of Trypanosoma brucei Methionyl-tRNA Synthetase: Selectivity and in Vivo Characterization

  摘要：

  Urea-based methionyl-tRNA synthetase inhibitors were designed, synthesized, and evaluated for their potential toward treating human African trypanosomiasis (HAT). With the aid of a homology model and a structure activity-relationship approach, low nM inhibitors were discovered that show high selectivity toward the parasite enzyme over the closest human homologue. These compounds inhibit parasite growth with EC50 values as low as 0.15 mu M while having low toxicity to mammalian cells. Two compounds (2 and 26) showed excellent membrane permeation in the MDR1-MDCKII model and encouraging oral pharmacokinetic properties in mice. Compound 2 was confirmed to enter the CNS in mice. Compound 26 had modest suppressive activity against Trpanosoma brucei rhodesiense in the mouse model, suggesting that more potent analogues or compounds with higher exposures need to be developed. The urea-based inhibitors are thus a promising starting point for further optimization toward the discovery of orally available and CNS active drugs to treat HAT.

  DOI：

  10.1021/jm300303e
• 作为产物：
  描述：

  3-(3',5'-dichlorobenzylamino)-1N-(t-butoxycarbonyl)propylamine 在 三氟乙酸 作用下， 反应 3.0h， 生成 N-(3',5'-dichlorobenzyl)-1,3-diaminopropane
  参考文献：
  名称：

  FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS

  摘要：

  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。

  公开号：

  US20130137630A1

文献信息

• 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。
• ACTAGARDINE DERIVATIVES
  申请人：Novacta Biosystems Limited

  公开号：EP2393829A1

  公开（公告）日：2011-12-14
• Actagardine Derivatives, and Pharmaceutical Use Thereof
  申请人：Dawson Michael John

  公开号：US20120302728A1

  公开（公告）日：2012-11-29

  Described are lantibiotic-based compounds, pharmaceutical compositions comprising the same and use of the compounds and said compositions, for the treatment of microbial infection, for example Clostridium difficile or Micrococcus luteus infection. The lantibiotic-based compounds have antimicrobial activity and in comparison to one or more of actagardine, actagardine B, deoxyactagardine B and deoxyactagardine have retained activity or improved activity.
• US8729031B2
  申请人：——

  公开号：US8729031B2

  公开（公告）日：2014-05-20
• US9006392B2
  申请人：——

  公开号：US9006392B2

  公开（公告）日：2015-04-14