[3-({[4-methyl-5-(5-{[1-(3-nitrophenyl)ethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)furan-2-yl]methyl}amino)propyl]phosphonic acid | 1609536-48-2

• 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: [3-({[4-methyl-5-(5-{[1-(3-nitrophenyl)ethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)furan-2-yl]methyl}amino)propyl]phosphonic acid
• 英文别名: 3-[[4-Methyl-5-[5-[1-(3-nitrophenyl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]furan-2-yl]methylamino]propylphosphonic acid
• CAS: 1609536-48-2
• 化学式: C₁₉H₂₃N₄O₇PS
• 分子量: 482.454
• InChiKey: YYHXYBQOFCBLBA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  32
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  193
• 氢给体数：
  3
• 氢受体数：
  11

文献信息

• 2-THIO-1,3,4-OXADIAZOLES DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS
  申请人：Allergan, Inc.

  公开号：US20140135291A1

  公开（公告）日：2014-05-15

  The present invention relates to novel 2-thio-1,3,4-oxadiazoles derivatives, processes for preparing them, pharmaceutical compositions containing them and their use as pharmaceuticals as modulators of sphingosine-1-phosphate receptors.

  本发明涉及新颖的2-硫代-1,3,4-噁二唑衍生物，其制备过程，含有它们的药物组合物以及它们作为调节鞘氨醇-1-磷酸受体的药物的用途。
• US8729110B1
  申请人：——

  公开号：US8729110B1

  公开（公告）日：2014-05-20
• [EN] 2-THIO-1,3,4-OXADIAZOLES DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS<br/>[FR] DÉRIVÉS 2-THIO-1,3,4-OXADIAZOLE AZÉTIDINE COMME MODULATEURS DE RÉCEPTEUR DE PHOSPHATE DE SPHINGOSINE-1
  申请人：ALLERGAN INC

  公开号：WO2014078197A1

  公开（公告）日：2014-05-22

  The present invention relates to novel 2-thio-l,3,4-oxadiazoles derivatives, processes for preparing them, pharmaceutical compositions containing them and their use as pharmaceuticals as modulators of sphingosine-l-phosphate receptors.