4-(3-hydroxy-5-hydroxymethyl-2-methyl-4-pyridyl)-4,5,6,7-tetrahydropyrido<3,4-d>imidazole | 4875-52-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡啶类
• 英文名称: 4-(3-hydroxy-5-hydroxymethyl-2-methyl-4-pyridyl)-4,5,6,7-tetrahydropyrido<3,4-d>imidazole
• 英文别名: 5-hydroxymethyl-2-methyl-4-(4,5,6,7-tetrahydro-1(3)H-imidazo[4,5-c]pyridin-4-yl)-pyridin-3-ol；4-<3-Hydroxy-2-methyl-5-hydroxymethyl-pyridyl-(4)>-4,5,6,7-tetrahydro-3H-imidazo<4,5-c>pyridin；7-<3-Hydroxy-5-hydroxymethyl-2-methyl-(4)-pyridyl>-4,5,6,7-tetrahydro-imidazo<5,4-c>pyridin；4-(3-Hydroxymethyl-5-hydroxy-6-methyl-pyridyl-(4))-3H-4,5,6,7-tetrahydro-pyridino<3,4-d>imidazol；5-(hydroxymethyl)-2-methyl-4-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)pyridin-3-ol
• CAS: 4875-52-9
• 化学式: C₁₃H₁₆N₄O₂
• 分子量: 260.296
• InChiKey: PLBHBXBTIOYRBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  94.1
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5-Hydroxymethyl-4-{[(E)-2-(3H-imidazol-4-yl)-ethylimino]-methyl}-2-methyl-pyridin-3-ol 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 4-(3-hydroxy-5-hydroxymethyl-2-methyl-4-pyridyl)-4,5,6,7-tetrahydropyrido<3,4-d>imidazole
  参考文献：
  名称：

  溶液中吡哆醛和组氨酸的金属席夫碱复合物的结构

  摘要：

  组氨酸或组胺的吡哆醛席夫碱环化受Cu2+和Zn2+等金属离子的阻碍。基于组氨酸和组胺的金属抑制程度相似，可以得出结论，具有与金属配位的咪唑基团的相同席夫碱络合物是两种底物惰性的原因。

  DOI：

  10.1246/cl.1982.31

文献信息

• Chemistry of Vitamin B₆. VII. Pyridoxylidene- and Pyridoxylamines¹
  作者：Dorothea Heyl、Eileen Luz、Stanton A. Harris、Karl Folkers

  DOI：10.1021/ja01191a038

  日期：1948.11
• Coordination modes of histidine. 2. Stereochemistry of the reaction between histidine derivatives and pyridoxal analogs conformational properties of zinc(II) complexes of histidine Schiff bases
  作者：Luigi Casella、Michele Gullotti

  DOI：10.1021/ja00411a013

  日期：1981.10
• STRUCTURE OF THE METAL SCHIFF BASE COMPLEX OF PYRIDOXAL AND HISTIDINE IN SOLUTION
  作者：Hiroki Kondo、Hiroyuki Yoshinaga、Kanzi Morita、Junzo Sunamoto

  DOI：10.1246/cl.1982.31

  日期：1982.1.5

  The cyclization of pyridoxal Schiff base of histidine or histamine is prohibited by metal ions such as Cu2+ and Zn2+. On the basis of a similar extent of metal inhibition for histidine and histamine, it is concluded that an identical Schiff base complex with the imidazole group coordinating to the metal is responsible for the inertness of both substrates.

  组氨酸或组胺的吡哆醛席夫碱环化受Cu2+和Zn2+等金属离子的阻碍。基于组氨酸和组胺的金属抑制程度相似，可以得出结论，具有与金属配位的咪唑基团的相同席夫碱络合物是两种底物惰性的原因。