(4-(5-heptyl-1-methyl-1H-1,2,4-triazol-3-yl)phenyl)methanamine | 1218817-56-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (4-(5-heptyl-1-methyl-1H-1,2,4-triazol-3-yl)phenyl)methanamine
• 英文别名: [4-(5-Heptyl-1-methyl-1,2,4-triazol-3-yl)phenyl]methanamine
• CAS: 1218817-56-1
• 化学式: C₁₇H₂₆N₄
• 分子量: 286.42
• InChiKey: ZGLHQGXDMIJSLV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  56.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 以99%的产率得到(4-(5-heptyl-1-methyl-1H-1,2,4-triazol-3-yl)phenyl)methanamine
  参考文献：
  名称：

  Discovery of novel sphingosine kinase-1 inhibitors. Part 2

  摘要：

  Building on our initial work, we have identified additional novel inhibitors of sphingosine kinase-1 (SK1). These new analogs address the shortcomings found in our previously reported compounds. Inhibitors 51 and 54 demonstrated oral bioavailability in a rat PK study. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2010.06.019

文献信息

• INHIBITORS OF SPHINGOSINE KINASE 1
  申请人：Xiang Yibin

  公开号：US20110275673A1

  公开（公告）日：2011-11-10

  The invention relates to compounds of Formula (I). Compounds of the present invention are inhibitors of sphingosine kinase 3, and are useful in the treatment of various disorders and conditions, such as inflammatory disorders.

  本发明涉及公式（I）的化合物。本发明的化合物是鞘氨醇激酶3的抑制剂，并且在治疗各种疾病和病况，例如炎症性疾病方面非常有用。
• [EN] INHIBITORS OF SPHINGOSINE KINASE 1<br/>[FR] INHIBITEURS DE LA SPHINGOSINE KINASE 1
  申请人：GENZYME CORP

  公开号：WO2010033701A2

  公开（公告）日：2010-03-25

  The invention relates to compounds of Formula (I). Compounds of the present invention are inhibitors of sphingosine kinase 3, and are useful in the treatment of various disorders and conditions, such as inflammatory disorders.