Ethyl 3-butoxy-5-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-oxopyran-2-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃
• 英文名称: Ethyl 3-butoxy-5-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-oxopyran-2-carboxylate
• 英文别名: ethyl 3-butoxy-5-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-oxopyran-2-carboxylate
• 化学式: C₂₁H₂₀F₂N₂O₅S
• 分子量: 450.5
• InChiKey: HJNDKRUOMOOSKI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  31
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  116
• 氢给体数：
  0
• 氢受体数：
  10

文献信息

• [EN] SPIROCYCLIC HETEROCYCLE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES SPIROCYCLIQUES UTILES EN TANT QU'INHIBITEURS DE L'INTÉGRASE DU VIH
  申请人：MERCK SHARP & DOHME

  公开号：WO2015095258A1

  公开（公告）日：2015-06-25

  The present invention relates to Spirocyclic Heterocycle Compounds of Formula (I): and pharmaceutically acceptable salts thereof, wherein A, B, X, Y, R1, R2 and R11 are as defined herein. The present invention also relates to compositions comprising at least one Spirocyclic Heterocycle Compound, and methods of using the Spirocyclic Heterocycle Compounds for treating or preventing HIV infection in a subject.

  本发明涉及式（I）的螺环杂环化合物及其药学上可接受的盐，其中A、B、X、Y、R1、R2和R11如本文所定义。本发明还涉及包含至少一种螺环杂环化合物的组合物，以及使用该螺环杂环化合物治疗或预防受试者HIV感染的方法。
• [EN] SPIROCYCLIC HETEROCYCLE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS<br/>[FR] COMPOSÉS À HÉTÉROCYCLES SPIROCYCLIQUES UTILES EN TANT QU'INHIBITEURS D'INTÉGRASE DU VIH
  申请人：MERCK SHARP & DOHME

  公开号：WO2015089847A1

  公开（公告）日：2015-06-25

  Disclosed are Spirocyclic Heterocycle Compounds of Formula (I) and pharmaceutically acceptable salts thereof, where A, B, X, Y, R1, R2 and R11 are as defined herein. Composition comprising at least one Spirocyclic Heterocycle Compound, and methods of using the Spirocyclic Heterocycle Compounds for treating or preventing HIV infection in a subject are also disclosed.

  本文披露了公式（I）的螺环杂环化合物及其药用盐，其中A、B、X、Y、R1、R2和R11的定义如本文所述。还披露了包含至少一种螺环杂环化合物的组合物，以及使用这些螺环杂环化合物治疗或预防受试者HIV感染的方法。
• [EN] 4-PYRIDINONETRIAZINE DERIVATIVES AS HIV INTEGRASE INHIBITORS<br/>[FR] DÉRIVÉS 4-PYRIDINONETRIAZINES EN TANT QU'INHIBITEURS DE L'INTÉGRASE DU VIH
  申请人：MERCK SHARP & DOHME

  公开号：WO2014099586A1

  公开（公告）日：2014-06-26

  The present invention relates to 4-Pyridinonetriazine Derivatives of Formula (I); and pharmaceutically acceptable salts thereof, wherein A, X, Y, R1, R2, R3 and R5 are as defined herein. The present invention also relates to compositions comprising at least one 4-Pyridinonetriazine Derivative, and methods of using the 4-Pyridinonetriazine Derivatives for treating or preventing HIV infection in a subject.

  本发明涉及公式(I)的4-吡啶酮三嗪衍生物；及其在药学上可接受的盐，其中A、X、Y、R1、R2、R3和R5如本文所定义。本发明还涉及包含至少一种4-吡啶酮三嗪衍生物的组合物，并且使用这些4-吡啶酮三嗪衍生物来治疗或预防受试者的HIV感染的方法。
• 4-PYRIDINONETRIAZINE DERIVATIVES AS HIV INTEGRASE INHIBITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20150329539A1

  公开（公告）日：2015-11-19

  The present invention relates to 4-Pyridinonetriazine Derivatives of Formula (I); and pharmaceutically acceptable salts thereof, wherein A, X, Y, R 1 , R 2 , R 3 and R 5 are as defined herein. The present invention also relates to compositions comprising at least one 4-Pyridinonetriazine Derivative, and methods of using the 4-Pyridinonetriazine Derivatives for treating or preventing HIV infection in a subject.
• SPIROCYCLIC HETERCYCLE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS
  申请人：Graham Thomas H.

  公开号：US20160317543A1

  公开（公告）日：2016-11-03

  The present invention relates to Spirocyclic Heterocycle Compounds of Formula (I): and pharmaceutically acceptable salts thereof, wherein A, B, X, Y, R 1 , R 2 and R 11 are as defined herein. The present invention also relates to compositions comprising at least one Spirocyclic Heterocycle Compound, and methods of using the Spirocyclic Heterocycle Compounds for treating or preventing HIV infection in a subject.