carbamic acid [5-(3,5-dichlorophenylthio)-1-isopropyl-4-[(pyridin-4-yl)methyl]-1H-pyrazol-3-yl]methyl ester | 478620-48-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: carbamic acid [5-(3,5-dichlorophenylthio)-1-isopropyl-4-[(pyridin-4-yl)methyl]-1H-pyrazol-3-yl]methyl ester
• 英文别名: carbamic acid [5-(3,5-dichlorophenylthio)-1-isopropyl-4-[(4-pyridyl)methyl]-1H-pyrazol-3-yl]methyl ester；[5-(3,5-Dichlorophenyl)sulfanyl-1-isopropyl-4-(4-pyridylmethyl)pyrazol-3-yl]methyl carbamate；[5-(3,5-dichlorophenyl)sulfanyl-1-propan-2-yl-4-(pyridin-4-ylmethyl)pyrazol-3-yl]methyl carbamate
• CAS: 478620-48-3
• 化学式: C₂₀H₂₀Cl₂N₄O₂S
• 分子量: 451.376
• InChiKey: AQSLEAXCHMHJJH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5-(3,5-dichlorophenylthio)-1-isopropyl-4-[(pyridin-4-yl)methyl]-1H-pyrazole-3-methanol 、 三氯乙酰异氰酸酯 在 氮气 、 甲醇 、 水 、 potassium carbonate 、 乙酸乙酯 、 Brine 、 magnesium sulfate 、 silica gel 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以to give 67 mg of carbamic acid [5-(3,5-dichlorophenylthio)-1-isopropyl-4-[(4-pyridyl)methyl]-1H-pyrazol-3-yl]methyl ester as a white solid的产率得到carbamic acid [5-(3,5-dichlorophenylthio)-1-isopropyl-4-[(pyridin-4-yl)methyl]-1H-pyrazol-3-yl]methyl ester
  参考文献：
  名称：

  Anti-HIV pyrazole derivatives

  摘要：

  本发明涉及新型吡唑衍生物、其制造方法、药物组合物和在医学上使用这些化合物。特别是，式I化合物是人类免疫缺陷病毒反转录酶酶的抑制剂，该酶参与病毒复制。因此，本发明的化合物可以优势地用作治疗HIV介导的过程的治疗剂。

  公开号：

  US06538015B1

文献信息

• PYRAZOLE DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP1401826B1

  公开（公告）日：2007-03-21
• [EN] PYRAZOLE DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS<br/>[FR] DERIVES DE PYRAZOLE UTILISES COMME INHIBITEURS DE LA TRANSCRIPTASE INVERSE DU VIH
  申请人：HOFFMANN LA ROCHE

  公开号：WO2002100853A1

  公开（公告）日：2002-12-19

  The invention is concerned with novel pyrazole derivatives, a process for their manufacture, pharmaceutical compositions and the use of such compounds in medicine. In particular, the compounds of formula I are inhibitos of the human immunodeficiency virus reverse transcriptase enzyme which is involved in viral replication. Consequently the compounds of this invention may be advantageously used as therapeutic agents for HIV mediated process. The invention describes novel compounds of formula I wherein R?1, R2, R3¿ and A are as defined in the description; ethers of compounds of formula I as well as pharmaceutically acceptable salts of the foregoing.
• Anti-HIV pyrazole derivatives
  申请人：Hoffmann-La Roche Inc.

  公开号：US06538015B1

  公开（公告）日：2003-03-25

  The invention is concerned with novel pyrazole derivatives, a process for their manufacture, pharmaceutical compositions and the use of such compounds in medicine. In particular, the compounds of formula I are inhibitors of the human immunodeficiency virus reverse transcriptase enzyme which is involved in viral replication. Consequently the compounds of this invention may be advantageously used as therapeutic agents for HIV mediated process.

  这项发明涉及新型吡唑衍生物，其制造方法，药物组合物以及在医学中使用这些化合物。具体来说，式I的化合物是人类免疫缺陷病毒逆转录酶的抑制剂，该酶参与病毒复制。因此，本发明的化合物可以有利地用作HIV介导过程的治疗剂。