N1-(4-Chlorophenyl)ethane-1,2-diamine hydrochloride | 1965309-94-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N1-(4-Chlorophenyl)ethane-1,2-diamine hydrochloride
• 英文别名: N'-(4-chlorophenyl)ethane-1,2-diamine;hydrochloride
• CAS: 1965309-94-7
• 化学式: C₈H₁₁ClN₂*ClH
• 分子量: 207.103
• InChiKey: HMEKICJTPQRANP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.13
• 重原子数：
  12.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  38.05
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  Cbz-L-亮氨酸N-羟基琥珀酰亚胺脂 、 N1-(4-Chlorophenyl)ethane-1,2-diamine hydrochloride 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 {1-[2-(4-Chloro-phenylamino)-ethylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester
  参考文献：
  名称：

  Arylaminoethyl Amides as Novel Non-Covalent Cathepsin K Inhibitors

  摘要：

  A series of N-alpha-benzyloxycarbonyl- and N-alpha-acyl-L-leucine(2-phenylaminoethyl)amide derivatives were prepared and evaluated for their inhibitory activity against rabbit and human cysteine proteases cathepsins K, L, and S. These data indicate that N-alpha-acyl-alpha-amino acid-(arylaminoethyl)amides represent a new class of selective non-covalent inhibitors of cathepsin K. Compounds 4b, 4e, and 4g exhibit high potency toward rabbit and human cathepsin K (IC50 < 0.006 muM) and are characterized by an excellent selectivity profile vs human cathepsins L and S.

  DOI：

  10.1021/jm010801s
• 作为产物：
  描述：

  2-唑烷酮 、 4-氯苯胺盐酸盐 以 乙二醇二甲醚 为溶剂， 生成 N1-(4-Chlorophenyl)ethane-1,2-diamine hydrochloride
  参考文献：
  名称：

  Arylaminoethyl Amides as Novel Non-Covalent Cathepsin K Inhibitors

  摘要：

  A series of N-alpha-benzyloxycarbonyl- and N-alpha-acyl-L-leucine(2-phenylaminoethyl)amide derivatives were prepared and evaluated for their inhibitory activity against rabbit and human cysteine proteases cathepsins K, L, and S. These data indicate that N-alpha-acyl-alpha-amino acid-(arylaminoethyl)amides represent a new class of selective non-covalent inhibitors of cathepsin K. Compounds 4b, 4e, and 4g exhibit high potency toward rabbit and human cathepsin K (IC50 < 0.006 muM) and are characterized by an excellent selectivity profile vs human cathepsins L and S.

  DOI：

  10.1021/jm010801s