N-[[2-(4,5-dimethyl-1H-1,2,3-triazol-1-yl)-4-fluorophenyl]methyl]-7',8'-dihydro-3'-hydroxy-4'-oxo-spiro[cyclobutane-1,10'(4'H)-[6H]pyrimido[2,1-c][1,4]oxazepine]-2'-carboxamide | 937262-22-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N-[[2-(4,5-dimethyl-1H-1,2,3-triazol-1-yl)-4-fluorophenyl]methyl]-7',8'-dihydro-3'-hydroxy-4'-oxo-spiro[cyclobutane-1,10'(4'H)-[6H]pyrimido[2,1-c][1,4]oxazepine]-2'-carboxamide
• 英文别名: N-[[2-(4,5-dimethyltriazol-1-yl)-4-fluoro-phenyl]methyl]-3-hydroxy-4-oxo-spiro[7,8-dihydro-6H-pyrimido[2,1-c][1,4]oxazepine-10,1'-cyclobutane]-2-carboxamide；N-[[2-(4,5-dimethyltriazol-1-yl)-4-fluorophenyl]methyl]-3-hydroxy-4-oxospiro[7,8-dihydro-6H-pyrimido[2,1-c][1,4]oxazepine-10,1'-cyclobutane]-2-carboxamide
• CAS: 937262-22-1
• 化学式: C₂₃H₂₅FN₆O₄
• 分子量: 468.488
• InChiKey: COKLGOIBOTYUDA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  122
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• HIV integrase inhibitors: cyclic pyrimidinone compounds
  申请人：Naidu Narasimhulu B.

  公开号：US20060106007A1

  公开（公告）日：2006-05-18

  The invention encompasses a series of pyrimidinone compounds which inhibit HIV integrase and thereby prevent viral integration into human DNA. This action makes the compounds useful for treating HIV infection and AIDS. The invention also encompasses intermediates useful for making the pyrimidone compounds. Additionally, pharmaceutical compositions and methods for treating those infected with HIV are encompassed.

  本发明涵盖了一系列嘧啶酮化合物，其抑制HIV整合酶，从而防止病毒整合到人类DNA中。这种作用使得这些化合物在治疗HIV感染和艾滋病方面非常有用。本发明还涵盖了制备嘧啶酮化合物的中间体。此外，还涵盖了用于治疗HIV感染者的制药组合物和方法。
• US7419969B2
  申请人：——

  公开号：US7419969B2

  公开（公告）日：2008-09-02
• [EN] HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS<br/>[FR] INHIBITEURS D'INTEGRASE DU VIH : COMPOSES CYCLIQUES DE LA PYRIMIDINONE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2007058646A1

  公开（公告）日：2007-05-24

  [EN] The invention encompasses a series of pyrimidinone compounds which inhibit HIV integrase and thereby prevent viral integration into human DNA. This action makes the compounds useful for treating HIV infection and AIDS. The invention also encompasses intermediates useful for making the pyrimidone compounds. Additionally, pharmaceutical compositions and methods for treating those infected with HIV are encompassed. Formula: (I).
  [FR] La présente invention concerne une série de composés pyrimidinone qui inhibe l'intégrase du VIH et prévient ainsi une intégration virale dans l'ADN humain. Cette action rend les composés utiles dans le traitement des infections par le VIH et du SIDA. L'invention concerne également des intermédiaires utiles en vue de fabriquer les composés pyrimidone. De plus, l'invention concerne des compositions pharmaceutiques et des procédés de traitement des infections par le VIH. Formule : (I).