4-Pyrimidinamine, 6-ethenyl-N,N-diethyl-2-(methylsulfonyl)- | 823220-82-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-Pyrimidinamine, 6-ethenyl-N,N-diethyl-2-(methylsulfonyl)-
• 英文别名: 6-ethenyl-N,N-diethyl-2-methylsulfonylpyrimidin-4-amine
• CAS: 823220-82-2
• 化学式: C₁₁H₁₇N₃O₂S
• 分子量: 255.34
• InChiKey: RXURNZNTOOHOJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  71.5
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• 6-VINYL PYRIMIDINE AND PYRIMIDINONE DERIVATIVES AND THE USE THEREOF
  申请人：Botta Maurizio

  公开号：US20100292260A1

  公开（公告）日：2010-11-18

  The invention relates to 6-vinyl pyrimidine pyrimidinone derivatives and the use thereof as medicaments in particular for the treatment of HTV infections, the use thereof for preparing pharmaceutical compositions and methods for the preparation thereof.

  这项发明涉及6-乙烯基嘧啶嘧啶酮衍生物及其作为药物的用途，特别是用于治疗HIV感染，还涉及用于制备药物组合物的用途和制备方法。
• 4-Pyrimidinone derivatives and their use as anti-HIV agents
  申请人：UNIVERSITA DEGLI STUDI DI SIENA

  公开号：EP2388250A1

  公开（公告）日：2011-11-23

  The invention relates to 4-pyrimidinone derivatives of formula V and the use thereof as medicaments in particular for the treatment of HIV infections, the use thereof for preparing pharmaceutical compositions and methods for the preparation thereof. R6 is -Y-R7 or NR4R5; Y = S, SO, SO2; R3 is aryl or aralkyl; R8 is methyl.

  本发明涉及式 V 的 4-嘧啶酮衍生物及其作为药物（尤其是用于治疗 HIV 感染）的用途、其在制备药物组合物中的用途及其制备方法。 R6是-Y-R7或NR4R5；Y＝S、SO、SO2；R3是芳基或芳烷基；R8是甲基。
• [EN] 6-VINYL PYRIMIDINE AND PYRIMIDINONE DERIVATIVES AND THE USE THEREOF<br/>[FR] DERIVES DE 6-VINYL PYRIMIDINE ET DE PYRIMIDINONE ET LEUR UTILISATION
  申请人：UNIV SIENA

  公开号：WO2007043094A2

  公开（公告）日：2007-04-19

  [EN] The invention relates to 6-vinyl pyrimidine pyrimidinone derivatives and the use thereof as medicaments in particular for the treatment of HTV infections, the use thereof for preparing pharmaceutical compositions and methods for the preparation thereof.
  [FR] L'invention porte sur des dérivés de 6-vinyl pyrimidine pyrimidinone et sur leur utilisation comme médicaments, en particulier dans le traitement des infections par le VIH, et sur leur utilisation dans la préparation de compositions pharmaceutiques. L'invention porte également sur des procédés de préparation de ces dérivés.
• [EN] CRYSTAL STRUCTURE OF THE HIV-1 REVERSE TRANSCRIPTASE BOUND TO A NUCLEOTIDE-COMPETITIVE REVERSE TRANSCRIPTASE INHIBITOR AND THE USE THEREOF<br/>[FR] STRUCTURE CRISTALLINE DE LA TRANSCRIPTASE INVERSE DU VIH-1 LIÉE À UN INHIBITEUR DE LA TRANSCRIPTASE INVERSE À COMPÉTITION NUCLÉOTIDIQUE ET UTILISATION DE CELLE-CI
  申请人：CONSIGLIO NAZIONALE RICERCHE

  公开号：WO2011073959A2

  公开（公告）日：2011-06-23

  The present invention relates to a co-crystal comprising a HIV-1 reverse transcriptase (RT) polypeptide and a nucleotide competing reverse transcriptase inhibitor (NcRTI). In particular, the HIV-1 reverse transcriptase polypeptide comprises a ligand binding pocket (LBP) in a hinge region at the interface between a p66 thumb domain defined by residues 1 to 84 and 120 to 150 in the p66 subunit of SEQ ID No. 1 and palm domains defined by residues 85 to 119 and 151 to 242 in the p66 subunit of SEQ ID No. 1, in the vicinity of the polymerase active site defined by residues 110, 185 and 186 of SEQ ID No. 1 and close to the ATP binding site of the RT.