5-Isopropoxy-2-(4-methylsulfanyl-pyridin-2-ylmethylsulfanyl)-1H-benzoimidazole | 326592-34-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 5-Isopropoxy-2-(4-methylsulfanyl-pyridin-2-ylmethylsulfanyl)-1H-benzoimidazole
• 英文别名: 2-[(4-methylsulfanylpyridin-2-yl)methylsulfanyl]-6-propan-2-yloxy-1H-benzimidazole
• CAS: 326592-34-1
• 化学式: C₁₇H₁₉N₃OS₂
• 分子量: 345.489
• InChiKey: AYURXYQPKDJRGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-Isopropoxy-2-(4-methylsulfanyl-pyridin-2-ylmethylsulfanyl)-1H-benzoimidazole 在 间氯过氧苯甲酸 作用下， 以 氯仿 为溶剂， 生成 5-Isopropoxy-2-(4-methylsulfanyl-pyridin-2-ylmethanesulfinyl)-1H-benzoimidazole
  参考文献：
  名称：

  Synthesis and characterization of a potent and selective protein tyrosine phosphatase inhibitor, 2-[(4-methylthiopyridin-2-yl)methylsulfinyl]benzimidazole

  摘要：

  The synthesis and biological activity of a series of 2-[(4-methylthiopyridin-2-yl)methylsulfinyl]benzimidazoles are described. These compounds have potent inhibitory effects against the protein tyrosine phosphatase activity of CD45. Enzymatic analysis with several phosphatases revealed that compound 5a had high specificity for CD45 compared with serine/threonine phosphatases (PP1, PP2A), tyrosine phosphatases (LAR, PTP1B and PTP-S2) and dual phosphatase (VHR). (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00539-4
• 作为产物：
  描述：

  4-Isopropoxy-2-nitroacetanilide 在 盐酸 、 sodium hydroxide 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 生成 5-Isopropoxy-2-(4-methylsulfanyl-pyridin-2-ylmethylsulfanyl)-1H-benzoimidazole
  参考文献：
  名称：

  Synthesis and characterization of a potent and selective protein tyrosine phosphatase inhibitor, 2-[(4-methylthiopyridin-2-yl)methylsulfinyl]benzimidazole

  摘要：

  The synthesis and biological activity of a series of 2-[(4-methylthiopyridin-2-yl)methylsulfinyl]benzimidazoles are described. These compounds have potent inhibitory effects against the protein tyrosine phosphatase activity of CD45. Enzymatic analysis with several phosphatases revealed that compound 5a had high specificity for CD45 compared with serine/threonine phosphatases (PP1, PP2A), tyrosine phosphatases (LAR, PTP1B and PTP-S2) and dual phosphatase (VHR). (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00539-4

文献信息

• Synthesis and characterization of a potent and selective protein tyrosine phosphatase inhibitor, 2-[(4-methylthiopyridin-2-yl)methylsulfinyl]benzimidazole
  作者：Takuya Hamaguchi、Akiko Takahashi、Terumi Kagamizono、Akira Manaka、Masakazu Sato、Hiroyuki Osada

  DOI：10.1016/s0960-894x(00)00539-4

  日期：2000.12

  The synthesis and biological activity of a series of 2-[(4-methylthiopyridin-2-yl)methylsulfinyl]benzimidazoles are described. These compounds have potent inhibitory effects against the protein tyrosine phosphatase activity of CD45. Enzymatic analysis with several phosphatases revealed that compound 5a had high specificity for CD45 compared with serine/threonine phosphatases (PP1, PP2A), tyrosine phosphatases (LAR, PTP1B and PTP-S2) and dual phosphatase (VHR). (C) 2000 Elsevier Science Ltd. All rights reserved.