4-Methoxy-3,5-dimethyl-2-(5-thiophen-2-yl-[1,3,4]oxadiazol-2-ylsulfanylmethyl)-pyridine | 197371-68-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4-Methoxy-3,5-dimethyl-2-(5-thiophen-2-yl-[1,3,4]oxadiazol-2-ylsulfanylmethyl)-pyridine
• 英文别名: 2-[(4-Methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole
• CAS: 197371-68-9
• 化学式: C₁₅H₁₅N₃O₂S₂
• 分子量: 333.435
• InChiKey: SYOLWOBIBGELJS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  115
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-Methoxy-3,5-dimethyl-2-(5-thiophen-2-yl-[1,3,4]oxadiazol-2-ylsulfanylmethyl)-pyridine 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 生成 4-Methoxy-3,5-dimethyl-2-(5-thiophen-2-yl-[1,3,4]oxadiazole-2-sulfinylmethyl)-pyridine
  参考文献：
  名称：

  Novel inhibitors of cell adhesion molecule expression

  摘要：

  2-Alkylsulfinyl-1,3,4-oxadiazoles have been identified as novel inhibitors of cell adhesion molecule expression on endothelial cells. These compounds have been shown to inhibit the up-regulation of ELAM-1 and VCAM-1 on activated human umbilical vein endothelial cells (HUVECs) as measured by ELISA. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00504-5
• 作为产物：
  描述：

  2-噻吩甲酰肼 在 氢氧化钾 、 potassium carbonate 作用下， 以 乙醇 、 丙酮 为溶剂， 生成 4-Methoxy-3,5-dimethyl-2-(5-thiophen-2-yl-[1,3,4]oxadiazol-2-ylsulfanylmethyl)-pyridine
  参考文献：
  名称：

  Novel inhibitors of cell adhesion molecule expression

  摘要：

  2-Alkylsulfinyl-1,3,4-oxadiazoles have been identified as novel inhibitors of cell adhesion molecule expression on endothelial cells. These compounds have been shown to inhibit the up-regulation of ELAM-1 and VCAM-1 on activated human umbilical vein endothelial cells (HUVECs) as measured by ELISA. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00504-5

文献信息

• Novel inhibitors of cell adhesion molecule expression
  作者：Dharmpal S. Dodd、Zhongqi Shen、Takao Nishi、Norma Graber、Dawson Bealls、Miranda Fong、Tracy Ebert

  DOI：10.1016/s0960-894x(96)00504-5

  日期：1996.11

  2-Alkylsulfinyl-1,3,4-oxadiazoles have been identified as novel inhibitors of cell adhesion molecule expression on endothelial cells. These compounds have been shown to inhibit the up-regulation of ELAM-1 and VCAM-1 on activated human umbilical vein endothelial cells (HUVECs) as measured by ELISA. Copyright (C) 1996 Elsevier Science Ltd