2-[[(叔丁氧羰基)氨基]甲基]-5-氟苯甲酸 | 606080-59-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-[[(叔丁氧羰基)氨基]甲基]-5-氟苯甲酸
• 英文名称: 2-(((tert-butoxycarbonyl)amino)methyl)-5-fluorobenzoic acid
• 英文别名: 2-[[(tert-Butoxycarbonyl)amino]methyl]-5-fluorobenzoic acid；5-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid
• CAS: 606080-59-5
• 化学式: C₁₃H₁₆FNO₄
• 分子量: 269.273
• InChiKey: UNBJCUBMERCLFV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-[[(叔丁氧羰基)氨基]甲基]-5-氟苯甲酸 在 2,2'-联吡啶 、 copper(l) iodide 、 potassium carbonate 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 19.0h， 生成 ethyl 5-(5-(2-(((tert-butoxycarbonyl)amino)methyl)-5-fluorobenzamido)-N-methylpentylsulfonamido)-8-hydroxy-1,6-naphthyridine-7-carboxylate
  参考文献：
  名称：

  Copper-Catalyzed C–N Coupling in the Synthesis of Integrase Inhibitors of Immunodeficiency Viruses

  摘要：

  This contribution describes the total synthesis of a complex macrocyclic integrase inhibitor, a key enzyme involved in the infection process of various immunodeficiency viruses. The key transformation of the synthetic strategy was the selective C-N coupling of a sulfonamide to a heteroaryl bromide in the presence of potentially competing amide and carbamate functionalities. The transformation was accomplished with CuI catalysis using bypiridine as the ligand in the presence of base and enabled a convergent approach to the target molecule.

  DOI：

  10.1021/op400228z
• 作为产物：
  描述：

  methyl 2-((tert-butoxycarbonylamino)methyl)-5-fluorobenzoate 在 水 、 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 以63.13 %的产率得到2-[[(叔丁氧羰基)氨基]甲基]-5-氟苯甲酸
  参考文献：
  名称：

  1,5-二氢-2,4-苯二氮䓬-3-酮衍生物的盐及应用

  摘要：

  本发明属于医药领域，具体涉及如下所示通式I所示化合物的盐、制备方法和包含该化合物的盐的组合物，以及在医药领域的应用。

  公开号：

  CN116444484A

文献信息

• [EN] MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS<br/>[FR] INHIBITEURS D'INTÉGRASE MACROCYCLIQUES POUR UTILISATION DANS LE TRAITEMENT DU VIRUS DE L'IMMUNODÉFICIENCE FÉLINE
  申请人：ELANCO ANIMAL HEALTH IRELAND

  公开号：WO2012112345A1

  公开（公告）日：2012-08-23

  This invention concerns to naphthyridin derivatives of formula (I) for use in the treatment or prevention of feline immunodeficiency virus (FIV). Furthermore the present invention relates to a method of treating or preventing infection of feline immunodeficiency virus in a feline animal wherein said method comprises the administration to said feline animal of a therapeutically effective amount of a naphthyridin derivative.

  这项发明涉及到式(I)的萘啉衍生物，用于治疗或预防猫免疫缺陷病毒（FIV）。此外，本发明涉及一种治疗或预防猫免疫缺陷病毒感染的方法，其中所述方法包括向所述猫动物施用有效治疗量的萘啉衍生物。
• Macrocyclic integrase inhibitors for use in the treatment of feline immunodeficiency virus
  申请人：Elanco Animal Health Ireland Limited

  公开号：EP2487176A1

  公开（公告）日：2012-08-15

  This invention concerns to naphthyridin derivatives of formula (I) for use in the treatment or prevention of feline immunodeficiency virus (FIV). Furthermore the present invention relates to a method of treating or preventing infection of feline immunodeficiency virus in a feline animal wherein said method comprises the administration to said feline animal of a therapeutically effective amount of a naphthyridin derivative.

  这项发明涉及一种用于治疗或预防猫免疫缺陷病毒（FIV）的式（I）的萘啶衍生物。此外，本发明涉及一种治疗或预防猫免疫缺陷病毒感染的方法，其中该方法包括向该猫动物投予一种萘啶衍生物的治疗有效量。
• [EN] MACROCYCLIC INTEGRASE INHIBITORS<br/>[FR] INHIBITEURS MACROCYCLIQUES D'INTÉGRASE
  申请人：TIBOTEC PHARM LTD

  公开号：WO2011045330A1

  公开（公告）日：2011-04-21

  Compound having formula (I), wherein - W is NH-, -N(CH3)- or piperazine, - X is a bond, -C(=O)- or S(=O)2-, - Y is C3-7alkylene, and - Z is NH-C(=O)- or -O-, and pharmaceutically acceptable salts thereof, their pharmaceutical formulations and use as HIV inhibitors.

  具有化学式（I）的化合物，其中- W为NH-，-N(CH3)-或哌嗪，- X为键，-C(=O)-或S(=O)2-，- Y为C3-7烷基，- Z为NH-C(=O)-或-O-，以及其药学上可接受的盐，它们的药物配方以及用作HIV抑制剂。
• N-(substituted benzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamides useful as hiv integrase inhibitors
  申请人：Egbertson Melissa

  公开号：US20050176955A1

  公开（公告）日：2005-08-11

  N-(Substituted benzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamides are inhibitors of HIV integrase and inhibitors of HIV replication. The naphthyridine carboxamides are of Formula (I): wherein R 1 ′, R 2 ′ and R 3 ′ are defined herein. The compounds are useful in the prevention and treatment of infection by HIV and in the prevention, delay in the onset, and treatment of AIDS. The compounds are employed against HIV infection and AIDS as compounds per se or in the form of pharmaceutically acceptable salts. The compounds and their salts can be employed as ingredients in pharmaceutical compositions, optionally in combination with other antivirals, immunomodulators, antibiotics or vaccines. Methods of preventing, treating or delaying the onset of AIDS and methods of preventing or treating infection by HIV are described.

  N-(取代苯基)-8-羟基-1,6-萘啶-7-羧酰胺是HIV整合酶的抑制剂和HIV复制的抑制剂。萘啶羧酰胺的化学式为(I):其中R1'，R2'和R3'在此被定义。这些化合物在预防和治疗HIV感染以及预防、延迟发病和治疗艾滋病方面非常有用。这些化合物可以作为化合物本身或作为药物可接受的盐形式用于对抗HIV感染和艾滋病。这些化合物及其盐可以作为药物组合物中的成分，可选择与其他抗病毒药物、免疫调节剂、抗生素或疫苗组合使用。描述了预防、治疗或延迟艾滋病发病的方法以及预防或治疗HIV感染的方法。
• N-(substituted benzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamides useful as HIV integrase inhibitors
  申请人：Merck & Co., Inc.

  公开号：US07323460B2

  公开（公告）日：2008-01-29

  N-(Substituted benzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamides are inhibitors of HIV integrase and inhibitors of HIV replication. The naphthyridine carboxamides are of Formula (I): wherein R1′, R2′ and R3′ are defined herein. The compounds are useful in the prevention and treatment of infection by HIV and in the prevention, delay in the onset, and treatment of AIDS. The compounds are employed against HIV infection and AIDS as compounds per se or in the form of pharmaceutically acceptable salts. The compounds and their salts can be employed as ingredients in pharmaceutical compositions, optionally in combination with other antivirals, immunomodulators, antibiotics or vaccines. Methods of preventing, treating or delaying the onset of AIDS and methods of preventing or treating infection by HIV are described.

  N-(取代苯基)-8-羟基-1,6-萘啶-7-羧酰胺是HIV整合酶的抑制剂和HIV复制的抑制剂。萘啶羧酰胺的化合物为公式（I）：其中R1'，R2'和R3'在此定义。这些化合物在预防和治疗HIV感染以及预防、延迟发病和治疗艾滋病方面非常有用。这些化合物作为化合物本身或以药学上可接受的盐的形式用于对抗HIV感染和艾滋病。这些化合物及其盐可以与其他抗病毒药物、免疫调节剂、抗生素或疫苗组合使用作为制药组合物的成分。还描述了预防、治疗或延迟艾滋病发病的方法以及预防或治疗HIV感染的方法。