(S)-(+)-γ-L-glutamyl-(5-ethoxycarbonyl-4-methyl-2-thiazolyl)-amide | 168074-44-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (S)-(+)-γ-L-glutamyl-(5-ethoxycarbonyl-4-methyl-2-thiazolyl)-amide
• 英文别名: S-(+)-γ-L-glutamyl-(5-ethoxycarbonyl-4-methyl-2-thiazolyl)-amide；S(+)-γ-L-glutamyl-(5-ethoxycarbonyl-4-methyl-2-thiazolyl)-amide；HGTA；(2S)-2-amino-5-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid
• CAS: 168074-44-0
• 化学式: C₁₂H₁₇N₃O₅S
• 分子量: 315.35
• InChiKey: BGDHJDATHICSEK-ZETCQYMHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.9
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  160
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  cobalt(II) nitrate hexahydrate 、 水 、 (S)-(+)-γ-L-glutamyl-(5-ethoxycarbonyl-4-methyl-2-thiazolyl)-amide 在 Na₂CO₃ 作用下， 以 水 为溶剂， 以56.6%的产率得到[Co(S(+)-γ-L-glutamyl-(5-ethoxycarbonyl-4-methyl-2-thiazolyl)-amide(-1H))2(H2O)2]*6H2O
  参考文献：
  名称：

  Spectroscopic investigations of new Cu(II), Co(II), Ni(II) complexes with γ-l-glutamyl amide as ligand

  摘要：

  The [Cu(GTA)(2)](.)4H(2)O, [Co(GTA)(2)(.)(H2O)(2)](.)6H(2)O and [Ni(GTA)(2)(.)(H2O)(2)](.)6H(2)O) complexes Of S(+)-gamma-L-glutamyl-(5-ethoxycarbonyl-4-methyl-2-thiazolyl)-amide (HGTA) ligand were synthesized and characterized by elemental, thermal, spectroscopic and magnetic investigations. In all these complexes the gamma-L-glutamyl-amide act as a bidentate ligand with coordination involving the carbonyl oxygen and the nitrogen atom of the second amino group. The thermal stability in the 20-700 degrees C temperature range of the ligand and complexes were discussed. The local structure around the Cu(II) ions is pseudotetrahedral. In the case of Co(II) and Ni(II) complexes two H2O molecules are involved in the metal ion coordination resulting an octahedral stereochemistry. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2004.11.096
• 作为产物：
  描述：

  在 一水合肼 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以86%的产率得到(S)-(+)-γ-L-glutamyl-(5-ethoxycarbonyl-4-methyl-2-thiazolyl)-amide
  参考文献：
  名称：

  Cristea, Ioan; Mager, Sorin; Batiu, Carmen, Revue Roumaine de Chimie, 1994, vol. 39, # 12, p. 1435 - 1441

  摘要：

  DOI：

文献信息

• Cristea, Ioan; Mager, Sorin; Batiu, Carmen, Revue Roumaine de Chimie, 1994, vol. 39, # 12, p. 1435 - 1441
  作者：Cristea, Ioan、Mager, Sorin、Batiu, Carmen、Ple, Gerard

  DOI：——

  日期：——
• Spectroscopic investigations of new Cu(II), Co(II), Ni(II) complexes with γ-l-glutamyl amide as ligand
  作者：C. Bâtiu、C. Jelic、N. Leopold、O. Cozar、L. David

  DOI：10.1016/j.molstruc.2004.11.096

  日期：2005.6

  The [Cu(GTA)(2)](.)4H(2)O, [Co(GTA)(2)(.)(H2O)(2)](.)6H(2)O and [Ni(GTA)(2)(.)(H2O)(2)](.)6H(2)O) complexes Of S(+)-gamma-L-glutamyl-(5-ethoxycarbonyl-4-methyl-2-thiazolyl)-amide (HGTA) ligand were synthesized and characterized by elemental, thermal, spectroscopic and magnetic investigations. In all these complexes the gamma-L-glutamyl-amide act as a bidentate ligand with coordination involving the carbonyl oxygen and the nitrogen atom of the second amino group. The thermal stability in the 20-700 degrees C temperature range of the ligand and complexes were discussed. The local structure around the Cu(II) ions is pseudotetrahedral. In the case of Co(II) and Ni(II) complexes two H2O molecules are involved in the metal ion coordination resulting an octahedral stereochemistry. (c) 2005 Elsevier B.V. All rights reserved.