N2-[(4-methylphenyl)methyl]-2,3-pyridinediamine | 99960-20-0

• 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: N2-[(4-methylphenyl)methyl]-2,3-pyridinediamine
• 英文别名: N2-(4-Methylbenzyl)pyridine-2,3-diamine；2-N-[(4-methylphenyl)methyl]pyridine-2,3-diamine
• CAS: 99960-20-0
• 化学式: C₁₃H₁₅N₃
• mdl: MFCD11187302
• 分子量: 213.282
• InChiKey: FJJJTJVWRAYFLL-UHFFFAOYSA-N

物化性质

• 熔点：
  125.1 °C
• 沸点：
  404.4±40.0 °C(Predicted)
• 密度：
  1.175±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.153
• 拓扑面积：
  50.9
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-[(4-methylphenyl)methyl]-3-nitro-2-pyridinamine 生成 N2-[(4-methylphenyl)methyl]-2,3-pyridinediamine
  参考文献：
  名称：

  JANSSENS, FRANS E.;KENNIS, LUDO E. J.;HENS, JOSEF F.;TORREMANS, JOSEPH L.+

  摘要：

  DOI：

文献信息

• 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP0151826A1

  公开（公告）日：1985-08-21

  Novel 4-[(bicyclic heterocycly(ymethyl and -hetero]-piperidines of formula wherein B is CH2, O, S, SO or SO2; the pharmaceutically acceptable acid addition salts and the possible stereochemically isomeric forms thereof, which compounds are anti-allergic agents, pharmaceutical compositions containing such compounds as an active ingredient and processes for preparing the said compounds and compositions

  新型 4-[(双环杂环甲基和杂环)-哌啶类化合物，其式为 其中 B 是 CH2、O、S、SO 或 SO2；药学上可接受的酸加成盐及其可能的立体化学异构形式，这些化合物是抗过敏剂，含有这些化合物作为活性成分的药物组合物以及制备上述化合物和组合物的工艺
• AUTOTAXIN INHIBITORY COMPOUNDS
  申请人：CANCER RESEARCH TECHNOLOGY LIMITED

  公开号：US20180016274A1

  公开（公告）日：2018-01-18

  The present invention relates to compounds of formula I, wherein A 1 , A 2 , A 3 , R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , L, Ar and Q are each as defined herein. The compounds of the present invention are inhibitors of autotaxin (ATX) enzyme activity. The present invention also relates to processes for the preparation of these compounds, to pharmaceutical compositions comprising them, and to their use in the treatment of proliferative disorders, such as cancer, as well as other diseases or conditions (e.g. fibrosis) in which ATX activity is implicated.