2-[3'-ethyl-7'-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-5'-hydroxy-1'-methyl-4',6'-dioxo-spiro[cyclohexane-4,2'-pyrido[2,1-f][1,2,4]triazine]-1-yl]-N,N-dimethyl-acetamide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-[3'-ethyl-7'-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-5'-hydroxy-1'-methyl-4',6'-dioxo-spiro[cyclohexane-4,2'-pyrido[2,1-f][1,2,4]triazine]-1-yl]-N,N-dimethyl-acetamide
• 英文别名: 2-[3'-ethyl-7'-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-5'-hydroxy-1'-methyl-4',6'-dioxospiro[cyclohexane-4,2'-pyrido[2,1-f][1,2,4]triazine]-1-yl]-N,N-dimethylacetamide
• 化学式: C₂₈H₃₃FN₆O₄S
• 分子量: 568.7
• InChiKey: OCHYQKAYCANTGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  40
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  138
• 氢给体数：
  1
• 氢受体数：
  10

文献信息

• [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.
• US9714243B2
  申请人：——

  公开号：US9714243B2

  公开（公告）日：2017-07-25