O,O-diethyl 2-nitro-thien-4-ylhydroxymethylphosphonate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: O,O-diethyl 2-nitro-thien-4-ylhydroxymethylphosphonate
• 英文别名: O,O-diethyl 2-nitro-4-thienylhydroxymethylphosphonate；diethoxyphosphoryl-(5-nitrothiophen-3-yl)methanol
• 化学式: C₉H₁₄NO₆PS
• 分子量: 295.253
• InChiKey: STLZNPCIFJGMOK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  130
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  O,O-diethyl 2-nitro-thien-4-ylhydroxymethylphosphonate 在 三甲基溴硅烷 作用下， 以 二氯甲烷 为溶剂， 生成 5-nitro-3-thiophenehydroxymethylphosphonic acid
  参考文献：
  名称：

  Novel hydroxyphosphonate inhibitors of CD-45 tyrosine phosphatase

  摘要：

  CD-45 tyrosine phosphatase [E.C. 3.1.3.48] is an important player in the regulation of cell activation and proliferation in hematopoetic cells. As part of a program in immune response modulation, we prepared the first series of small organic molecule inhibitors of CD-45. The preparation and in vitro screening of these hydroxyphosphonates is described herein. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00390-9
• 作为产物：
  描述：

  2-硝基噻吩-4-甲醛 、 二乙基亚磷酸氢酯 生成 O,O-diethyl 2-nitro-thien-4-ylhydroxymethylphosphonate
  参考文献：
  名称：

  Arylmethylphosphonic acid derivatives useful in treating bone wasting

  摘要：

  公式I代表的苄基膦酸酯化合物被披露为治疗骨质疏松症和免疫抑制剂。

  公开号：

  US05994563A1

文献信息

• Arylmethylphosphonic acid derivatives useful in treating bone wasting
  申请人：Ortho Pharmaceutical Corporation

  公开号：US05994563A1

  公开（公告）日：1999-11-30

  Benzyl-phosphonate compounds represented by the formula I: ##STR1## are disclosed as useful in treating bone wasting diseases and as an immunosuppresant.

  公式I代表的苄基膦酸酯化合物被披露为治疗骨质疏松症和免疫抑制剂。
• Novel hydroxyphosphonate inhibitors of CD-45 tyrosine phosphatase
  作者：Roger F. Frechette、Caridad Ackerman、Scott Beers、Rich Look、John Moore

  DOI：10.1016/s0960-894x(97)00390-9

  日期：1997.9

  CD-45 tyrosine phosphatase [E.C. 3.1.3.48] is an important player in the regulation of cell activation and proliferation in hematopoetic cells. As part of a program in immune response modulation, we prepared the first series of small organic molecule inhibitors of CD-45. The preparation and in vitro screening of these hydroxyphosphonates is described herein. (C) 1997 Elsevier Science Ltd.