苯磺酸,5-4-4-氯-6-4-2-(硫代氧代)乙基磺酰苯基氨基-1,3,5-三嗪-2-基氨基苯基氨基羰基乙酰基氨基-2-乙氧基-,盐二钠 | 80056-12-8

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 过渡金属盐
• 中文名称: 苯磺酸,5-4-4-氯-6-4-2-(硫代氧代)乙基磺酰苯基氨基-1,3,5-三嗪-2-基氨基苯基氨基羰基乙酰基氨基-2-乙氧基-,盐二钠
• 中文别名: 氯化铜
• 英文名称: (67)copper(II) chloride
• 英文别名: (~67~Cu)Copper(2+) dichloride；copper-67(2+);dichloride
• CAS: 80056-12-8
• 化学式: Cl₂Cu
• 分子量: 137.906
• InChiKey: ORTQZVOHEJQUHG-AESBAZMWSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  1.38
• 重原子数：
  3
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  r-1,c-3,c-5-tris[(2-pyridylmethyl)amino]cyclohexane 、 苯磺酸,5-4-4-氯-6-4-2-(硫代氧代)乙基磺酰苯基氨基-1,3,5-三嗪-2-基氨基苯基氨基羰基乙酰基氨基-2-乙氧基-,盐二钠 在 CH₃COONH₄ 作用下， 以 水 为溶剂， 生成
  参考文献：
  名称：

  Synthesis of novel 1,3,5-cis,cis-triaminocyclohexane ligand based Cu(II) complexes as potential radiopharmaceuticals and correlation of structure and serum stability

  摘要：

  The present study describes the synthesis of Cu(II) and radioactive Cu-67.64(II) complexes with N,N',N"-tris(2-pyridylmethyl)-1,3,5-cis,cis-triaminocyclohexane (tachpyr) and a new pyridyl ring alkylated derivative, N,N',N"-tris(6-methyl-2-pyridylmethyl)1,3,5-cis,cis-triaminocyclohexane (tach-6-Me-pyr) and the investigation of their structural and solution properties as well as stability in human serum. Facile formation of both the `cold' and Cu-67.64-radiolabeled complexes, [Cu(tachpyr)](2+) and [Cu(tach-6-Me-pyr)](2+), occurs in aqueous (0.15 M NH4OAc buffer, pH 6.5) or methanolic solvent. X-ray crystallography reveals that Cu(II) is hexacoordinate in [Cu(tachpyr)](2+) while methylation at the 6-position of the pyridyl donors in tachpyr produces considerable steric hindrance. Thus one pyridyl arm of tach-6-Mepyr is rotated entirely away from copper in [Cu(tach-6-Mepyr)](2+), resulting in a highly distorted trigonal-bipyramidal coordination geometry. The solid-state structures of the complexes correlate well with their stabilities in human serum at 37 degreesC. Thus, [Cu-67(tachpyr)](2+) possesses excellent stability, being unchanged after a period of 7 days, while [Cu-67(tach-6-Mepyr)](2+) decomposes within 1 h. Tachpyr may be an excellent candidate for developing new Cu(II) radiopharmaceuticals for diagnosis and therapy. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(01)00927-5