1-(5-(4-氟苄基)呋喃-2-基)-3-羟基-3-(1H-1,2,4-三唑-3-基)-2-丙烯-1-酮 | 280571-30-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(5-(4-氟苄基)呋喃-2-基)-3-羟基-3-(1H-1,2,4-三唑-3-基)-2-丙烯-1-酮
• 中文别名: 4(8H)-蝶啶酮,2-氨基-8-乙基-6,7-二甲基-
• 英文名称: (Z)-1-[5-(4-fluorobenzyl)furan-2-yl]-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)propenone
• 英文别名: S-1360；1-(5-(4-Fluorobenzyl)furan-2-yl)-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)propene；(Z)-1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one
• CAS: 280571-30-4
• 化学式: C₁₆H₁₂FN₃O₃
• 分子量: 313.288
• InChiKey: HFHDGHOGHWXXDT-ZSOIEALJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  92
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-[5-[(4-氟苯基)甲基]呋喃-2-基]乙酮 在 盐酸 、 sodium methylate 作用下， 以 四氢呋喃 、 甲醇 、 水 、 丙酮 为溶剂， 反应 4.0h， 生成 1-(5-(4-氟苄基)呋喃-2-基)-3-羟基-3-(1H-1,2,4-三唑-3-基)-2-丙烯-1-酮
  参考文献：
  名称：

  Development of HIV-Integrase Inhibitor S-1360: Selection of the Protecting Group on the 1,2,4-Triazole Ring

  摘要：

  HIV-integrase inhibitor S-1360 was synthesized by Claisen-type reaction of 5-(4-fluorobenzyl)-2-furyl methyl ketone with N-protected 1H-1,2,4-triazole-3-carboxylate. The protecting group on the triazole ring is essential for the reaction to proceed. Tetrabydropyranyl and 1-methoxy-1-methylethyl groups were examined for manufacturing S-1360 on a large scale. High throughput and a convenient procedure were realized by using the 1-methoxy-1-methylethyl group.

  DOI：

  10.1021/op700116y

文献信息

• Antiviral compounds
  申请人：Cai Zhenhong R.

  公开号：US20080076740A1

  公开（公告）日：2008-03-27

  The invention is related to phosphorus substituted anti-viral inhibitory compounds, compositions containing such compounds, and therapeutic methods that include the administration of such compounds, as well as to processes and intermediates useful for preparing such compounds.

  该发明涉及磷取代的抗病毒抑制化合物、含有该化合物的组合物、包括给予该化合物的治疗方法，以及用于制备该化合物的有用过程和中间体。
• Diketo acids with nucleobase scaffolds: anti-HIV replication inhibitors targeted at HIV integrase
  申请人：Nair Vasu

  公开号：US20070259823A1

  公开（公告）日：2007-11-08

  A new class of diketo acids constructed on nucleobase scaffolds, designed as inhibitors of HIV replication through inhibition of HIV integrase, is described. These compounds are useful in the prevention or treatment of infection by HIV and in the treatment of AIDS and ARC, either as the compounds, or as pharmaceutically acceptable salts, with pharmaceutically acceptable carriers, used alone or in combination with antivirals, immunomodulators, antibiotics, vaccines, and other therapeutic agents. Methods of treating AIDS and ARC and methods of treating or preventing infection by HIV are also described.

  描述了一种构建在核碱基支架上的新型二酮酸类化合物，设计用于通过抑制HIV整合酶来抑制HIV复制。这些化合物可作为化合物本身或作为药学上可接受的盐，与药学上可接受的载体单独或与抗病毒药物、免疫调节剂、抗生素、疫苗和其他治疗剂联合使用，用于预防或治疗HIV感染以及治疗艾滋病和ARC。还描述了治疗艾滋病和ARC以及预防或治疗HIV感染的方法。
• ANTIVIRAL PHOSPHONATE ANALOGS
  申请人：Boojamra Constantine G.

  公开号：US20090275535A1

  公开（公告）日：2009-11-05

  The invention is related to phosphorus substituted compounds with antiviral activity, compositions containing such compounds, and therapeutic methods that include the administration of such compounds, as well as to processes and intermediates useful for preparing such compounds.

  这项发明涉及具有抗病毒活性的磷取代化合物，包含这种化合物的组合物以及包括给予这种化合物的治疗方法，还包括用于制备这种化合物的过程和中间体。
• Inhibitor for enzyme having two divalent metal ions as active center
  申请人：Kiyama Ryuichi

  公开号：US20100068695A1

  公开（公告）日：2010-03-18

  A pharmaceutical composition for use as an inhibitor of an enzyme having two divalent metal ions as an active center was found. It is possible to inhibit the activity of an enzyme by a compound capable of chelating both of the two divalent metal ions.

  发现了一种用作酶抑制剂的药物组合物，该酶具有两个二价金属离子作为活性中心。通过化合物能够螯合这两个二价金属离子中的任意一个或两个，从而抑制酶的活性。
• Organic Process Research and Development. 2007, 11, 1055-1058
  作者：

  DOI：——

  日期：——