Fluoro(20-methoxyicosa-5,8,11,14-tetraenoxy)phosphinic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磷酸及其衍生物
• 英文名称: Fluoro(20-methoxyicosa-5,8,11,14-tetraenoxy)phosphinic acid
• 英文别名: fluoro(20-methoxyicosa-5,8,11,14-tetraenoxy)phosphinic acid
• 化学式: C₂₁H₃₆FO₄P
• 分子量: 402.5
• InChiKey: BWTZOBSQFXFKRY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  27
• 可旋转键数：
  18
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• EP1576127A4
  申请人：——

  公开号：EP1576127A4

  公开（公告）日：2006-10-25
• CRYSTALLINE FORM OF FATTY ACID AMINE HYDROLASE (FAAH)
  申请人：THE SCRIPPS RESEARCH INSTITUTE

  公开号：EP1576127A2

  公开（公告）日：2005-09-21
• Crystalline Form of Fatty Acid Amide Hydrolase (Faah)
  申请人：Bracey Michael H.

  公开号：US20080124275A1

  公开（公告）日：2008-05-29

  The present invention is directed to FAAH crystals in complex with the inhibitor methoxyarachidonyl fluorophosphonate (MAFP) and to the use of these crystals to determine the three-dimensional structure of FAAH. This invention id further directed to the use of this structure for the modeling or determination of the structures of related proteins. This invention is further directed to the use of this structure in the pursuit of drug design to identify, characterize, or optimize agents which bind to the active site, substrate channels, product channels, or regulatory sites of FAAH, and to the evaluation of these agents to identify agents which may stimulate, inhibit, relocalize, stabilize, or destabilize FAAH and/or its activity. This invention is further directed to the use of this structure in the development of engineered FAAH variants which display altered solubility, catalytic profiles, or substrate specificity. This invention is further directed to the use of this structure in the development of engineered heterologous proteins with altered membrane tropism.
• [EN] CRYSTALLINE FORM OF FATTY ACID AMINE HYDROLASE (FAAH)<br/>[FR] FORME CRISTALLINE DE L'AMINE HYDROLASE D'ACIDE GRAS (FAAH)
  申请人：SCRIPPS RESEARCH INST

  公开号：WO2004044169A9

  公开（公告）日：2004-07-01

  [EN] The present invention is directed to FAAH crystals in complex with the inhibitor methoxyarachidonyl fluorophosphonate (MAFP) and to the use of these crystals to determine the three-dimensional structure of FAAH. This invention id further directed to the use of this structure for the modeling or determination of the structures of related proteins. This invention is further directed to the use of this structure in the pursuit of drug design to identify, characterize, or optimize agents which bind to the active site, substrate channels, product channels, or regulatory sites of FAAH, and to the evaluation of these agents to identify agents which may stimulate, inhibit, relocalize, stabilize, or destabilize FAAH and/or its activity. This invention is further directed to the use of this structure in the development of engineered FAAH variants which display altered solubility, catalytic profiles, or substrate specificity. This invention is further directed to the use of this structure in the development of engineered heterologous proteins with altered membrane tropism.
  [FR] La présente invention concerne des cristaux de FAAH formant un complexe avec l'inhibiteur de méthoxyarachidonyl fluorophosphonate (MAFP) et l'utilisation de ces cristaux pour déterminer la structure tridimensionnelle de FAAH. L'invention concerne également l'utilisation de cette structure pour modéliser ou déterminer les structures de protéines liées. L'invention concerne également l'utilisation de cette structure pour poursuivre le développement de médicaments pour identifier, caractériser ou optimiser des agents qui se lient au site actif, canaux substrat, canaux produit ou sites de régulation de FAAH et l'évaluation de ces agents pour identifier les agents qui peuvent stimuler, inhiber, relocaliser, stabiliser ou déstabiliser le FAAH et/ou son activité. L'invention concerne également l'utilisation de cette structure pour développer des variantes de FAAH affichant une solubilité, des profils catalytiques ou une spécificité de substrat modifiés. Cette invention concerne également l'utilisation de cette structure pour développer des protéines hétérologues au tropisme de membrane modifié mises en oeuvres