N¹-(p-tolyl)ethane-1,2-diamine hydrochloride | 143745-52-2

• 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: N¹-(p-tolyl)ethane-1,2-diamine hydrochloride
• 英文别名: N-p-tolyl-ethylenediamine; monohydrochloride；N-p-Tolyl-aethylendiamin; Monohydrochlorid；N'-(4-methylphenyl)ethane-1,2-diamine;hydrochloride
• CAS: 143745-52-2
• 化学式: C₉H₁₄N₂*ClH
• 分子量: 186.684
• InChiKey: ZOLJFKLNUOOQGM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.79
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  38
• 氢给体数：
  3
• 氢受体数：
  2

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-(p-tolyl)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 [3-Methyl-1-(2-p-tolylamino-ethylcarbamoyl)-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：

  乙烷,三氯氟- 在 盐酸 、 lithium aluminium tetrahydride 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 反应 92.0h， 生成 N¹-(p-tolyl)ethane-1,2-diamine hydrochloride
  参考文献：
  名称：

  Discovery and Development of First-in-Class ACKR3/CXCR7 Superagonists for Platelet Degranulation Modulation

  摘要：

  DOI：

  10.1021/acs.jmedchem.2c01198

文献信息

• Newman, Chemische Berichte, 1891, vol. 24, p. 2197
  作者：Newman

  DOI：——

  日期：——
• Arylaminoethyl Amides as Novel Non-Covalent Cathepsin K Inhibitors
  作者：Eva Altmann、Johanne Renaud、Jonathan Green、David Farley、Brian Cutting、Wolfgang Jahnke

  DOI：10.1021/jm010801s

  日期：2002.6.1

  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.
• Discovery and Development of First-in-Class ACKR3/CXCR7 Superagonists for Platelet Degranulation Modulation
  作者：Alp Bayrak、Florian Mohr、Kyra Kolb、Martyna Szpakowska、Ekaterina Shevchenko、Valerie Dicenta、Anne-Katrin Rohlfing、Mark Kudolo、Tatu Pantsar、Marcel Günther、Agnieszka A. Kaczor、Antti Poso、Andy Chevigné、Thanigaimalai Pillaiyar、Meinrad Gawaz、Stefan A. Laufer

  DOI：10.1021/acs.jmedchem.2c01198

  日期：2022.10.13