5-(5-3-[3,6-di(4-fluorophenyl)-3,3a,5,6-tetrahydro[1,3]thiazolo[4,5-c]isoxazol-5-yl]-4-methoxybenzyl-2-methoxyphenyl)-3,6-di(4-fluorophenyl)-3,3a,5,6-tetrahydro-[1,3]thiazolo[4,5-c]isoxazole | 1229001-99-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-(5-3-[3,6-di(4-fluorophenyl)-3,3a,5,6-tetrahydro[1,3]thiazolo[4,5-c]isoxazol-5-yl]-4-methoxybenzyl-2-methoxyphenyl)-3,6-di(4-fluorophenyl)-3,3a,5,6-tetrahydro-[1,3]thiazolo[4,5-c]isoxazole
• 英文别名: 5-[5-[[3-[3,6-bis(4-fluorophenyl)-3a,5-dihydro-3H-thiazolo[4,5-c]isoxazol-5-yl]-4-methoxy-phenyl]methyl]-2-methoxy-phenyl]-3,6-bis(4-fluorophenyl)-3a,5-dihydro-3H-thiazolo[4,5-c]isoxazole；5-[5-[[3-[3,6-bis(4-fluorophenyl)-3a,5-dihydro-3H-[1,3]thiazolo[4,5-c][1,2]oxazol-5-yl]-4-methoxyphenyl]methyl]-2-methoxyphenyl]-3,6-bis(4-fluorophenyl)-3a,5-dihydro-3H-[1,3]thiazolo[4,5-c][1,2]oxazole
• CAS: 1229001-99-3
• 化学式: C₄₇H₃₆F₄N₄O₄S₂
• 分子量: 860.953
• InChiKey: CQENLDMGKGSMTE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.5
• 重原子数：
  61
• 可旋转键数：
  10
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  119
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  3-(4-fluorophenyl)-2-[5-(3-3-(4-fluorophenyl)-5-[(Z)-1-(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolan-2-yl-4-methoxybenzyl)-2-methoxyphenyl]-5-[(Z)-1-(4-fluorophenyl)methylidene]-1,3-thiazolan-4-one 在 盐酸羟胺 、 sodium acetate 作用下， 以 溶剂黄146 为溶剂， 反应 8.0h， 生成 5-(5-3-[3,6-di(4-fluorophenyl)-3,3a,5,6-tetrahydro[1,3]thiazolo[4,5-c]isoxazol-5-yl]-4-methoxybenzyl-2-methoxyphenyl)-3,6-di(4-fluorophenyl)-3,3a,5,6-tetrahydro-[1,3]thiazolo[4,5-c]isoxazole
  参考文献：
  名称：

  Synthesis and in vitro study of methylene-bis-tetrahydro[1,3]thiazolo[4,5-c]isoxazoles as potential nematicidal agents

  摘要：

  A sales of methylene-bis-tetrahydro[1,3]thiazolo[4,5-c]isoxazoles 6 were synthesized by the reaction of chalcone derivative of methylene-bis-thiazolidinone 5 with hydroxylamine hydrochloride. The chemical structures of newly synthesized compounds were elucidated by IR, H-1, C-13 NMR, MS and elemental analyses. The compounds 6a-g were evaluated for their nematicidal activity against Ditylenchus myceliophagus and Caenorhabditis elegans, compound 6e and 6f showed appreciable nematicidal activity. Further the compounds 6a-g were screened for their antifungal activity against Candida albicans (ATCC 10231), Aspergillus fumigatus (HIC 6094), Trichophyton rubrum (IF 9185) and Trichophyton mentagrophytes (IFO 40996). The compounds 6b and 6f displayed notable antifungal activity against all the microorganisms employed. The activity of these two compounds is almost equal to the standard. It is also interesting to note that the compounds 6b, 6f and 6g showed activity towards C. albicans at the concentration of 3.75 mu M, which is less than the concentration of the standard Amphotericin B.

  DOI：

  10.1016/j.ejmech.2010.02.014

文献信息

• Synthesis and in vitro study of methylene-bis-tetrahydro[1,3]thiazolo[4,5-c]isoxazoles as potential nematicidal agents
  作者：Avula Srinivas、Adki Nagaraj、Cherkupally Sanjeeva Reddy

  DOI：10.1016/j.ejmech.2010.02.014

  日期：2010.6

  A sales of methylene-bis-tetrahydro[1,3]thiazolo[4,5-c]isoxazoles 6 were synthesized by the reaction of chalcone derivative of methylene-bis-thiazolidinone 5 with hydroxylamine hydrochloride. The chemical structures of newly synthesized compounds were elucidated by IR, H-1, C-13 NMR, MS and elemental analyses. The compounds 6a-g were evaluated for their nematicidal activity against Ditylenchus myceliophagus and Caenorhabditis elegans, compound 6e and 6f showed appreciable nematicidal activity. Further the compounds 6a-g were screened for their antifungal activity against Candida albicans (ATCC 10231), Aspergillus fumigatus (HIC 6094), Trichophyton rubrum (IF 9185) and Trichophyton mentagrophytes (IFO 40996). The compounds 6b and 6f displayed notable antifungal activity against all the microorganisms employed. The activity of these two compounds is almost equal to the standard. It is also interesting to note that the compounds 6b, 6f and 6g showed activity towards C. albicans at the concentration of 3.75 mu M, which is less than the concentration of the standard Amphotericin B.