5-imidazoleacetate | 110493-31-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-imidazoleacetate
• 英文别名: Imidazol-4-ylacetate；2-(1H-imidazol-5-yl)acetate
• CAS: 110493-31-7
• 化学式: C₅H₅N₂O₂
• 分子量: 125.107
• InChiKey: PRJKNHOMHKJCEJ-UHFFFAOYSA-M

物化性质

• 碰撞截面：
  120.7 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  68.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  聚合甲醛 、 水 、 zinc(II) acetate dihydrate 、 5-imidazoleacetate 生成 Zn(1-hydroxymethyl-4-imidazoleacetate)2(H2O)2
  参考文献：
  名称：

  Synthesis and crystal structures of metal complexes with 4,5-imidazole-dicarboxylate chelates: self-assembled structures via NH⋯O C intermolecular hydrogen bonds

  摘要：

  New metal complexes with two imidazole-carboxylate sets, [Zn(hmia)(2)(H2O)(2)] (hmia = 1-hydroxymethyl-4-imidazoleacetate) (1) and [M(Himdc)(2)(H2O)(2)] (imdc = 4,5-imidazoledicarboxylate) (M = Zn (2), Co (3), Cu (4)), were synthesized and structurally characterized. For all metal complexes, coordination of the two N-O sets of chelating ligands and two water molecules produces a distorted (1-3) and an elongated (4) octahedral coordination center, in which these monomeric units are connected by various intermolecular hydrogen bonds. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2004.09.008
• 作为产物：
  描述：

  水 、 (1H-咪唑-4-基)-乙醛 、 nicotinamide adenine dinucleotide 生成 氢(+1)阳离子 、 5-imidazoleacetate 、 NADH
  参考文献：
  名称：

  Ambroziak W.; Pietruszko R., J Biol Chem, 1991, 0021-9258, 13011-8

  摘要：

  DOI：

文献信息

• Maki Y.; Yamamoto S.; Nozaki M., J Biol Chem, 1969, 0021-9258, 2942-50
  作者：Maki Y.、Yamamoto S.、Nozaki M.、Hayaishi O.

  DOI：——

  日期：——
• CROWLEY G.M., J Biol Chem, 1964, 0021-9258, 2593-601
  作者：CROWLEY G.M.

  DOI：——

  日期：——
• Synthesis and crystal structures of metal complexes with 4,5-imidazole-dicarboxylate chelates: self-assembled structures via NH⋯O C intermolecular hydrogen bonds
  作者：Emi Shimizu、Mitsuru Kondo、Yumiko Fuwa、Ram. P. Sarker、Makoto Miyazawa、Masaru Ueno、Tetsuyoshi Naito、Kenji Maeda、Fumio Uchida

  DOI：10.1016/j.inoche.2004.09.008

  日期：2004.11

  New metal complexes with two imidazole-carboxylate sets, [Zn(hmia)(2)(H2O)(2)] (hmia = 1-hydroxymethyl-4-imidazoleacetate) (1) and [M(Himdc)(2)(H2O)(2)] (imdc = 4,5-imidazoledicarboxylate) (M = Zn (2), Co (3), Cu (4)), were synthesized and structurally characterized. For all metal complexes, coordination of the two N-O sets of chelating ligands and two water molecules produces a distorted (1-3) and an elongated (4) octahedral coordination center, in which these monomeric units are connected by various intermolecular hydrogen bonds. (C) 2004 Elsevier B.V. All rights reserved.
• Ambroziak W.; Pietruszko R., J Biol Chem, 1991, 0021-9258, 13011-8
  作者：Ambroziak W.、Pietruszko R.

  DOI：——

  日期：——