1-Methyl-1-(1-phenyldecan-2-yl)azepan-1-ium;iodide

• 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: 1-Methyl-1-(1-phenyldecan-2-yl)azepan-1-ium;iodide
• 英文别名: 1-methyl-1-(1-phenyldecan-2-yl)azepan-1-ium;iodide
• 化学式: C23H40IN
• 分子量: 457.5
• InChiKey: RAABRRGCRRYXMR-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.37
• 重原子数：
  25
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

文献信息

• [EN] SELECTIVE INHIBITORS AND ALLOSTERIC ACTIVATORS OF SPHINGOSINE KINASE<br/>[FR] INHIBITEURS SÉLECTIFS ET ACTIVATEURS ALLOSTÉRIQUES DE LA SPHINGOSINE KINASE
  申请人：UNIV CITY NEW YORK RES FOUND

  公开号：WO2014118556A2

  公开（公告）日：2014-08-07

  Sphingosine 1-phosphate (S1P) is involved in hyper-proliferative diseases, such as cancer and vascular remodeling in pulmonary arterial hypertension. Inhibitors of sphingosine kinase 1 and 2 (SK1 and SK2), which catalyze the synthesis of S1P, may be useful anti- proliferative agents. We have synthesized a series of sphingosine-based inhibitors of SK and SK2. Also provided in this invention are compounds that activate SK1 which can be used in diseases such as fibrosis, where intracellular S1P is anti-fibrotic.