tetraphenyl (benzo[d]thiazol-7-ylamino)methylenediphosphonate | 1298094-98-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: tetraphenyl (benzo[d]thiazol-7-ylamino)methylenediphosphonate
• 英文别名: N-[bis(diphenoxyphosphoryl)methyl]-1,3-benzothiazol-7-amine
• CAS: 1298094-98-0
• 化学式: C₃₂H₂₆N₂O₆P₂S
• 分子量: 628.582
• InChiKey: XCRUAXLYMSRYHI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  43
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  124
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  苯并[D]噻唑-7-胺 、 亚磷酸二苯酯 、 原甲酸三乙酯 反应 2.5h， 以55%的产率得到tetraphenyl (benzo[d]thiazol-7-ylamino)methylenediphosphonate
  参考文献：
  名称：

  Synthesis and bio-activity evaluation of tetraphenyl(phenylamino) methylene bisphosphonates as antioxidant agents and as potent inhibitors of osteoclasts in vitro

  摘要：

  A new series of tetraphenyl bisphosphonates have been elegantly synthesized by one-pot method and were characterized by elemental analysis, FUR, (1)H, (13)C, (31)P NMR, mass spectra and evaluated for their in vitro antibone resorptive activity by inhibiting growth of osteoclasts. Two bisphosphonates 3g and 3f showed marked inhibition ratio (8 mu M and 10 mu M) and emerged as lead compounds. All compounds were tested for their antioxidant (DPPH scavenging, reducing power and inhibition of lipid peroxidation). They exhibited potent in vitro antioxidant activity dose-dependently. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.02.038

文献信息

• Synthesis and bio-activity evaluation of tetraphenyl(phenylamino) methylene bisphosphonates as antioxidant agents and as potent inhibitors of osteoclasts in vitro
  作者：A. Balakrishna、M. Veera Narayana Reddy、P. Visweswara Rao、M. Anil Kumar、B. Siva Kumar、S.K. Nayak、C. Suresh Reddy

  DOI：10.1016/j.ejmech.2011.02.038

  日期：2011.5

  A new series of tetraphenyl bisphosphonates have been elegantly synthesized by one-pot method and were characterized by elemental analysis, FUR, (1)H, (13)C, (31)P NMR, mass spectra and evaluated for their in vitro antibone resorptive activity by inhibiting growth of osteoclasts. Two bisphosphonates 3g and 3f showed marked inhibition ratio (8 mu M and 10 mu M) and emerged as lead compounds. All compounds were tested for their antioxidant (DPPH scavenging, reducing power and inhibition of lipid peroxidation). They exhibited potent in vitro antioxidant activity dose-dependently. (C) 2011 Elsevier Masson SAS. All rights reserved.