7,7'-(phenylmethylene)bis(3-methyl-6-(4-chlorophenyl)isoxazolo[4,5-b]pyridine-N-oxide) | 1370018-94-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 7,7'-(phenylmethylene)bis(3-methyl-6-(4-chlorophenyl)isoxazolo[4,5-b]pyridine-N-oxide)
• 英文别名: 6-(4-Chlorophenyl)-7-[[6-(4-chlorophenyl)-3-methyl-4-oxido-[1,2]oxazolo[4,5-b]pyridin-4-ium-7-yl]-phenylmethyl]-3-methyl-4-oxido-[1,2]oxazolo[4,5-b]pyridin-4-ium
• CAS: 1370018-94-2
• 化学式: C₃₃H₂₂Cl₂N₄O₄
• 分子量: 609.468
• InChiKey: BUMYFCRWESELCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  43
• 可旋转键数：
  5
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  103
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5-styryl-4-nitro-3-methylisoxazole 在 哌啶 作用下， 以 乙醇 为溶剂， 反应 4.0h， 生成 7,7'-(phenylmethylene)bis(3-methyl-6-(4-chlorophenyl)isoxazolo[4,5-b]pyridine-N-oxide)
  参考文献：
  名称：

  Multi-component synthesis and in vitro and in vivo anticancer activity of novel arylmethylene bis-isoxazolo[4,5-b]pyridine-N-oxides

  摘要：

  A three component one-pot protocol has been investigated for the synthesis of arylmethylene bis-isoxazolo[4,5-b]pyridine-N-oxides 1 from the commercially available materials. The title compounds 1 were also synthesized by a step-wise method and found to be identical with one-pot synthesis by spectral and analytical data. The newly synthesized compounds were evaluated for their in vitro anticancer activity against human cancer cell lines and in vivo anticancer activity on EAC-bearing mice. Compound 1a was found to be the most active both in in vitro and in vivo cytotoxic studies. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.02.004

文献信息

• Multi-component synthesis and in vitro and in vivo anticancer activity of novel arylmethylene bis-isoxazolo[4,5-b]pyridine-N-oxides
  作者：E. Rajanarendar、S. Raju、M. Nagi Reddy、S. Rama Krishna、L. Hari Kiran、A. Ram Narasimha Reddy、Y. Narasimha Reddy

  DOI：10.1016/j.ejmech.2012.02.004

  日期：2012.4

  A three component one-pot protocol has been investigated for the synthesis of arylmethylene bis-isoxazolo[4,5-b]pyridine-N-oxides 1 from the commercially available materials. The title compounds 1 were also synthesized by a step-wise method and found to be identical with one-pot synthesis by spectral and analytical data. The newly synthesized compounds were evaluated for their in vitro anticancer activity against human cancer cell lines and in vivo anticancer activity on EAC-bearing mice. Compound 1a was found to be the most active both in in vitro and in vivo cytotoxic studies. (C) 2012 Elsevier Masson SAS. All rights reserved.