W(CO)₅(η¹-NH₂CH₂COOCH₃) | 1564072-29-2

• 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: W(CO)₅(η¹-NH₂CH₂COOCH₃)
• 英文别名: Carbon monoxide;methyl 2-aminoacetate;tungsten
• CAS: 1564072-29-2
• 化学式: C₈H₇NO₇W
• 分子量: 412.996
• InChiKey: GJYMRLBSCHBTON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.07
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  57.3
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  六羰基钨 以 二氯甲烷 、 二乙二醇 为溶剂， 反应 6.0h， 生成 W(CO)₅(η¹-NH₂CH₂COOCH₃)
  参考文献：
  名称：

  含M（CO）5的CO释放分子的合成，毒性和生物分布（M = Mo，W和Cr）

  摘要：

  一系列CO释放分子M（CO）的5  L（M = Mo，W和Cr）的，（1，2，3，L =甘氨酸甲酯; 4，5，6，Ñ甲基咪唑; 7，8，9，2-氨基吡啶; 10，11，12，3-氨基吡啶; 13，14，15，4-氨基吡啶），合成。所有配合物均已通过NMR，IR和电喷雾电离质谱进行了表征。14和15的八面体结构也通过X射线晶体学确定。此外，评估了所有复合物的毒性，药代动力学和代谢过程。通过MTT测定对成纤维细胞系增殖的细胞毒性作用。在络合物中，Mo络合物1显示出最低的细胞毒性（IC 50  = 597 µmol l -1），W络合物2显示出显着的毒性作用，IC 50  = 52 µmol l -1。在具有相同配体的情况下，配合物的毒性作用按金属元素W

  DOI：

  10.1002/aoc.3105

文献信息

• Syntheses and evaluation of drug-like properties of CO-releasing molecules containing ruthenium and group 6 metal
  作者：Pengpeng Wang、Huapeng Liu、Quanyi Zhao、Yonglin Chen、Bin Liu、Baoping Zhang、Qian Zheng

  DOI：10.1016/j.ejmech.2013.12.041

  日期：2014.3

  In this paper, drug-like properties of two series of carbonyl metal CO-releasing molecules, Ru(CO)(3)ClnL (n = 1, L = amino acid or its derivatives 1-7, L=acetylacetone 8 or 2,2 '-bipyridyl 9; n = 2, L=aminopyridine derivatives 10-13; n = 0, L=salicylaldehyde Schiff base 14-15) and M(CO)(5)L(M = Cr, Mo, W; L = glycine methyl ester 16-18; L=N-methyl imidazole 19-21), were preliminarily evaluated from four aspects involving in cytotoxicity, in vivo toxicity, bio-distribution and metabolism. Cytotoxic effects of all complexes were assayed by mu. IC50 values of complexes 1-15 were 39.55-240.16 mg/l, and those of complexes 16 and 18 were 21.36-22.21 mg/l. Toxicity tests of mice used oral acute toxic class method and got LD50 values of some complexes; among them, LD50 of complex 1 was in 800-1000 mg/kg, complex 7 in 1100-1500 mg/kg and complex 18 in 75-125 mg/kg. After several consecutive administrations, tested complexes severely damaged liver and kidney in both functional and morphological aspects. And by metal ions measurements using ICP-AES, we found that the tested complexes were unevenly distributed in tissues and organs. In vivo, Ru-II in complexes was oxidized to Ru-III by P450 enzymes, and for Mo-0 and W-0 in complexes, part of them transformed into higher oxidation state, the others kept original state. (C) 2014 Elsevier Masson SAS. All rights reserved.