2-(3,5-dimethyl-4-methoxy-pyridin-2-yl)methylthio-5-methyl-1,3,4-oxadiazole | 197371-52-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-(3,5-dimethyl-4-methoxy-pyridin-2-yl)methylthio-5-methyl-1,3,4-oxadiazole
• 英文别名: 2-(3,5-dimethyl-4-methoxy-2-pyridyl)methylthio-5-methyl-1,3,4-oxadiazole；2-[(4-Methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole
• CAS: 197371-52-1
• 化学式: C₁₂H₁₅N₃O₂S
• 分子量: 265.336
• InChiKey: ULXCAPJSZQXYEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  86.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-(3,5-dimethyl-4-methoxy-pyridin-2-yl)methylthio-5-methyl-1,3,4-oxadiazole 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 生成 (3,5-dimethyl-4-methoxy-pyridin-2-yl)methylsulfinyl-5-methyl-1,3,4-oxadiazole
  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-(氯甲基)-4-甲氧基-3,5-二甲基吡啶 、 5-甲基-[1,3,4]噁二唑-2-硫醇 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 生成 2-(3,5-dimethyl-4-methoxy-pyridin-2-yl)methylthio-5-methyl-1,3,4-oxadiazole
  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

• 1,3,4-oxadiazoles
  申请人：Otsuka Pharmaceutical Co., Ltd.

  公开号：US05670526A1

  公开（公告）日：1997-09-23

  1,3,4-oxadiazole compounds are disclosed. The subject compounds suppress immune function and have hepatoprotection activity.

  本文披露了1,3,4-噁二唑化合物。这些化合物抑制免疫功能并具有肝脏保护活性。
• US5670526A
  申请人：——

  公开号：US5670526A

  公开（公告）日：1997-09-23
• 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