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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

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
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-,盐二钠化学式
CAS
80056-12-8
化学式
Cl2Cu
mdl
——
分子量
137.906
InChiKey
ORTQZVOHEJQUHG-AESBAZMWSA-L
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

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:
    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
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