2-[(Furan-2-Ylmethyl)amino]benzoic Acid | 501661-50-3

• 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-[(Furan-2-Ylmethyl)amino]benzoic Acid
• 英文别名: 2-(furan-2-ylmethylamino)benzoic acid
• CAS: 501661-50-3
• 化学式: C₁₂H₁₁NO₃
• mdl: MFCD01025564
• 分子量: 217.224
• InChiKey: CKOPWCOBXHDAOZ-UHFFFAOYSA-N

物化性质

• 沸点：
  389.7±27.0 °C(Predicted)
• 密度：
  1.317±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.083
• 拓扑面积：
  62.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-氯苯乙胺 、 2-[(Furan-2-Ylmethyl)amino]benzoic Acid 、 氯甲酸三氯甲酯 以62%的产率得到3-[2-(4-chlorophenyl)ethyl]-1-[(furan-2-yl)methyl]quinazoline-2,4-dione
  参考文献：
  名称：

  无全氟化溶剂的氟双相概念多步平行合成喹唑啉-2,4-二酮

  摘要：

  基于通过氟反相硅胶（FRPSG）上的氟-氟相互作用吸附的全氟标签苄醇，我们进行了多步合成，最终形成了一个小的喹唑啉-2,4-二酮文库。整个反应过程无需分离中间体，最重要的是，不需要全氟化溶剂。

  DOI：

  10.1002/hlca.200390010

文献信息

• An orally administered drug form comprising a polar bioactive agent and an adjuvant
  申请人：INTERx RESEARCH CORPORATION

  公开号：EP0036145B1

  公开（公告）日：1985-05-29
• A rectally administered suppository comprising a drug and an adjuvant
  申请人：Merck & Co., Inc.

  公开号：EP0031561B1

  公开（公告）日：1985-04-10
• LIGANDS THAT TARGET HCV-E2 BINDING SITES ON CD81 AND THERAPEUTIC METHODS USING THEM
  申请人：American University of Cairo

  公开号：US20150328329A1

  公开（公告）日：2015-11-19

  Ligands that target the HCV-E2 binding site and methods of making and using them. A series of ligand binding sites on the large extracellular loop of the open conformation of CD81 have been identified. Several important sites were located in regions identified by mutational studies to be the site of E2 binding. Ligands that recognize these sites were identified. Linking together two or three ligands that bind with low or moderate affinities to different structurally unique sites on a target protein were used to generate small molecule ligand conjugates that exhibit very high affinities to their CD81 targets. Hybrid ligand molecules were also designed using fragment-based drug design methods to generate analogs of the ligands that bind more tightly to the protein than the parent compounds. Identification and design of groups of compounds that bind to CD81 for use as therapeutics for treating patients infected by Hepatitis C virus and other viruses that interact with CD81. By binding to CD81, these molecules can block 1) HCV and other viral entry into cells (infection), 2) inflammatory responses caused by HCV and other viral infections, and 3) the induction of HCV associated cancers.
• [EN] COMPOUNDS AND METHODS FOR ACEMIF INHIBITION AND THE TREATMENT OF PARASITES<br/>[FR] COMPOSÉS ET MÉTHODES D'INHIBITION D'ACEMIF ET DE TRAITEMENT DE PARASITES
  申请人：UNIV YALE

  公开号：WO2012033878A2

  公开（公告）日：2012-03-15

  The screening of bioactive compound libraries can be an effective approach for repositioning FDA-approved drugs or discovering new pharmacophores, Hookworms are blood-feeding, intestinal nematode parasites infect up to 600 million people worldwide. Vaccination with recombinant Ancylostoma ceylanicum macrophage migration inhibitory factor (rAceMIF) provided partial protection from disease, thus establishing a "proof-of-concept" for targeting AceMIF to prevent or treat infection. A high-throughput screen (HTS) against rAceMIF identified six AceMIF-specific inhibitors. A non-steroidal anti-inflammatory drug (NSAID), sodium meclofenamate, could be tested in an animal model to assess the therapeutic efficacy in treating hookworm disease. Furosemide, an FDA-approved diuretic, exhibited submicromolar inhibition of rAceMIF tautomerase activity. Structure-activity relationships of a pharmacophore based on furosemide included one analogue that binds similarly to the active site, yet does not inhibit the Na-K-Cl symporter (NKCC1) responsible for diuretic activity. Compounds and methods for inhibiting AceMIF and treating parasitic, including hookworm infections represent additional aspects of the invention.
• [EN] LIGANDS THAT TARGET HCV-E2 BINDING SITES ON CD81 AND THERAPEUTIC METHODS USING THEM<br/>[FR] LIGANDS QUI CIBLENT DES SITES DE LIAISON DE E2 DE VHC SUR CD81 ET PROCÉDÉS THÉRAPEUTIQUES LES EMPLOYANT
  申请人：AZZAZY HASSAN

  公开号：WO2014081856A2

  公开（公告）日：2014-05-30

  Ligands that target the HCV-E2 binding site and methods of making and using them. A series of ligand binding sites on the large extracellular loop of the open conformation of CD81 have been identified. Several important sites were located in regions identified by mutational studies to be the site of E2 binding. Ligands that recognize these sites were identified. Linking together two or three ligands that bind with low or moderate affinities to different structurally unique sites on a target protein were used to generate small molecule ligand conjugates that exhibit very high affinities to their CD81 targets. Hybrid ligand molecules were also designed using fragment-based drug design methods to generate analogs of the ligands that bind more tightly to the protein than the parent compounds. Identification and design of groups of compounds that bind to CD81 for use as therapeutics for treating patients infected by Hepatitis C virus and other viruses that interact with CD81. By binding to CD81, these molecules can block 1) HCV and other viral entry into cells (infection), 2) inflammatory responses caused by HCV and other viral infections, and 3) the induction of HCV associated cancers.