sulfonyldiphenyl-4,4`-bis[aminomethylidene(bisphosphonic)] acid | 1620164-72-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 英文名称: sulfonyldiphenyl-4,4`-bis[aminomethylidene(bisphosphonic)] acid
• 英文别名: WG8747D；[[4-[4-(Diphosphonomethylamino)phenyl]sulfonylanilino]-phosphonomethyl]phosphonic acid；[[4-[4-(diphosphonomethylamino)phenyl]sulfonylanilino]-phosphonomethyl]phosphonic acid
• CAS: 1620164-72-8
• 化学式: C₁₄H₂₀N₂O₁₄P₄S
• 分子量: 596.279
• InChiKey: CTTMEDJHQKKESN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.1
• 重原子数：
  35
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  297
• 氢给体数：
  10
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  氨苯砜 在 盐酸 、 三甲基溴硅烷 、 三乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 甲苯 为溶剂， 反应 12.0h， 生成 sulfonyldiphenyl-4,4`-bis[aminomethylidene(bisphosphonic)] acid
  参考文献：
  名称：

  Synthesis and antiproliferative activity of aromatic and aliphatic bis[aminomethylidene(bisphosphonic)] acids

  摘要：

  A series of aromatic and aliphatic bis[aminomethylidene(bisphosphonic)] acids was synthesized in the reaction of triethylphosphite with isonitriles followed by hydrolysis or dealkylation. The in vitro anti-proliferative effect of all synthesized tetraphosphonic acids against MCF-7 breast cancer cells, J774E macrophages and HL-60 promyelocytic leukemia cells was determined. Three aromatic derivatives (5a, 5f and 5j) showed a similar or higher anti-proliferative activity than zoledronic acid. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.05.071

文献信息

• Synthesis and antiproliferative activity of aromatic and aliphatic bis[aminomethylidene(bisphosphonic)] acids
  作者：Waldemar Goldeman、Anna Nasulewicz-Goldeman

  DOI：10.1016/j.bmcl.2014.05.071

  日期：2014.8

  A series of aromatic and aliphatic bis[aminomethylidene(bisphosphonic)] acids was synthesized in the reaction of triethylphosphite with isonitriles followed by hydrolysis or dealkylation. The in vitro anti-proliferative effect of all synthesized tetraphosphonic acids against MCF-7 breast cancer cells, J774E macrophages and HL-60 promyelocytic leukemia cells was determined. Three aromatic derivatives (5a, 5f and 5j) showed a similar or higher anti-proliferative activity than zoledronic acid. (C) 2014 Elsevier Ltd. All rights reserved.