{7-[4-(Difluoro-phosphono-methyl)-benzylsulfanyl-methyl]-naphthalen-2-yl}-difluoromethyl-phosphonic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: {7-[4-(Difluoro-phosphono-methyl)-benzylsulfanyl-methyl]-naphthalen-2-yl}-difluoromethyl-phosphonic acid
• 英文别名: [[4-[[7-[Difluoro(phosphono)methyl]naphthalen-2-yl]methylsulfanylmethyl]phenyl]-difluoromethyl]phosphonic acid
• 化学式: C₂₀H₁₈F₄O₆P₂S
• 分子量: 524.366
• InChiKey: DRFMXGGMCXCFPQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  140
• 氢给体数：
  4
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  {7-{4-[(Diethoxy-phosphoryl)-difluoro-methyl]-benzylsulfanyl-methyl}-naphthalen-2-yl}-difluoro-methyl-phosphonic acid diethyl ester 以 乙醇 、 氯仿 为溶剂， 生成 {7-[4-(Difluoro-phosphono-methyl)-benzylsulfanyl-methyl]-naphthalen-2-yl}-difluoromethyl-phosphonic acid
  参考文献：
  名称：

  Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors

  摘要：

  本发明包括一类新颖的化合物，其通过以下公式表示，这些化合物是PTP-1B酶的抑制剂。 1 本发明还包括用于治疗或预防PTP-1B介导的疾病的药物组合物和方法，包括糖尿病。

  公开号：

  US20020002149A1

文献信息

• SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS
  申请人：MERCK FROSST CANADA INC.

  公开号：EP1268495A1

  公开（公告）日：2003-01-02
• Protein tyrosine phosphatase-prl-1 a a marker and therapeutic target for pancreatic cancer
  申请人：Farnsworth L Amanda

  公开号：US20070026398A1

  公开（公告）日：2007-02-01

  Using gene expression profiling, the present Invention identifies Protein tyrosine phosphatase IVA member 1 (PRL-1) as a diagnostic marker and therapeutic target for pancreatic cancer. The Invention therefore provides methods for prediction and detection of PRL-1 associated cancers, and evaluation of inhibitors of PRL-1. The Invention also provides a method of treating or preventing pancreatic cancer in a subject.
• US6465444B2
  申请人：——

  公开号：US6465444B2

  公开（公告）日：2002-10-15
• [EN] SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS<br/>[FR] ACIDES ARYLDIFLUOROMETHYLPHOSPHONIQUES DOTES DE SUBSTITUANTS CONTENANT DU SOUFRE COMME INHIBITEURS DE LA PTP-1B
  申请人：MERCK FROSST CANADA INC

  公开号：WO2001070754A1

  公开（公告）日：2001-09-27

  The invention encompasses the novel class of compounds represented by the formula (I), which are inhibitors of the PTP-1B enzyme. The invention also encompasses pharmaceutical compositions and methods of treating or preventing PTP-1B mediated diseases, including diabetes.