3,3,6,6,10,10-hexamethyl-1,2-dithia-5,8-diazacyclodecane | 102059-22-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 有机二硫化物
• 英文名称: 3,3,6,6,10,10-hexamethyl-1,2-dithia-5,8-diazacyclodecane
• 英文别名: 1,2,5,8-Dithiadiazecine, octahydro-3,3,6,6,10,10-hexamethyl-；3,3,6,6,10,10-hexamethyl-1,2,5,8-dithiadiazecane
• CAS: 102059-22-3
• 化学式: C₁₂H₂₆N₂S₂
• 分子量: 262.484
• InChiKey: XNGPQHNGJWOYHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  74.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,3,6,6,10,10-hexamethyl-1,2-dithia-5,8-diazacyclodecane 在 DL-dithiothreitol 、 三甲基铝 、 potassium carbonate 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 、 乙腈 为溶剂， 反应 208.0h， 生成 N-diethylaminoethyl-4-<2-(2-methyl-2-thiopropane)-4,4,7-trimethyl-7-thio-2,5-diazaoctane>benzamide
  参考文献：
  名称：

  Technetium-99m radiolabelling of anN-amino-alkyl-benzamide nitrido- and oxo-technetium bis(aminoethanethiol) derivative synthesis and biological results. Potential melanoma tracer agents

  摘要：

  N-(2-diethylaminoethyl)-4-iodobenzamide has been reported to be an excellent agent for malignant melanoma diagnosis by SPECT. To obtain a Tc-99m analog, we synthesized a new bis(aminothiol) (BAT) derivative. The benzamide function was conjugated onto a nitrogen of the BAT backbone. This ligand was successfully radiolabelled with both nitrido-technetium and oxo-technetium cores. These complexes were purified by HPLC. Tumour uptake was measured in intravenously injected mice bearing the B16 murine melanoma.

  DOI：

  10.1002/(sici)1099-1344(199906)42:6<567::aid-jlcr217>3.0.co;2-p
• 作为产物：
  描述：

  2,2'-dithiobis(2-methylpropanal) 在 盐酸 、 sodium cyanoborohydride 作用下， 以 乙醚 、 乙醇 为溶剂， 反应 7.0h， 生成 3,3,6,6,10,10-hexamethyl-1,2-dithia-5,8-diazacyclodecane
  参考文献：
  名称：

  Technetium-99m radiolabelling of anN-amino-alkyl-benzamide nitrido- and oxo-technetium bis(aminoethanethiol) derivative synthesis and biological results. Potential melanoma tracer agents

  摘要：

  N-(2-diethylaminoethyl)-4-iodobenzamide has been reported to be an excellent agent for malignant melanoma diagnosis by SPECT. To obtain a Tc-99m analog, we synthesized a new bis(aminothiol) (BAT) derivative. The benzamide function was conjugated onto a nitrogen of the BAT backbone. This ligand was successfully radiolabelled with both nitrido-technetium and oxo-technetium cores. These complexes were purified by HPLC. Tumour uptake was measured in intravenously injected mice bearing the B16 murine melanoma.

  DOI：

  10.1002/(sici)1099-1344(199906)42:6<567::aid-jlcr217>3.0.co;2-p

文献信息

• Papadopoulos M., Stathaki S., Mastrostamatis S., Varvarigou A., Chiotelli+, Nucl. Med. and Biol., 20 (1993) N 1, S 105-115
  作者：Papadopoulos M., Stathaki S., Mastrostamatis S., Varvarigou A., Chiotelli+

  DOI：——

  日期：——