2-[2-[[6-(1,1-Dicyanoprop-1-en-2-yl)naphthalen-2-yl]-methylamino]ethyl]-4-methylbenzenesulfonic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[2-[[6-(1,1-Dicyanoprop-1-en-2-yl)naphthalen-2-yl]-methylamino]ethyl]-4-methylbenzenesulfonic acid
• 英文别名: 2-[2-[[6-(1,1-dicyanoprop-1-en-2-yl)naphthalen-2-yl]-methylamino]ethyl]-4-methylbenzenesulfonic acid
• 化学式: C₂₅H₂₃N₃O₃S
• 分子量: 445.5
• InChiKey: ZNGIOFULBOWTAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  114
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• METHODS FOR MULTI-DOSE SYNTHESIS OF [F-18]FDDNP FOR CLINICAL SETTINGS
  申请人：The Regents of the University of California

  公开号：EP3538161A1

  公开（公告）日：2019-09-18
• [EN] METHODS FOR MULTI-DOSE SYNTHESIS OF [F-18]FDDNP FOR CLINICAL SETTINGS<br/>[FR] PROCÉDÉS DESTINÉS À LA SYNTHÈSE MULTI-DOSE DU [F-18]FDDNP DESTINÉS À DES CONTEXTES CLINIQUES
  申请人：UNIV CALIFORNIA

  公开号：WO2018089491A1

  公开（公告）日：2018-05-17

  A method of manufacturing 2-(1-6-[(2-[F-18]fluoroethyl)(methyl)amino]-2-naphthyl}ethylidene)-malononitrile ([F-18]FDDNP) utilizes a semi-automated module that is used to perform fluorination, pre-purification, separation, product extraction, and formulation. The method is able to produce [F-18]FDDNP with high yields and ready for human administration under existing FDA regulations, and without the need for hazardous organic solvents such as dichloromethane (DCM), methanol (MeOH), and tetrahydrofuran (THF). The method also improves the speed with which [F-18]FDDNP can be synthesized with the method being able to generate a final product within about 90 to 100 minutes. This synthesis method is easily adaptable to FDA registered and approved automated synthesis systems.