2-chloro-5-[4-(6-methoxy-pyridin-3-yl)-5-methyl-4H-[1,2,4]triazol-3-yl]-pyrazine | 848953-06-0

• 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: 2-chloro-5-[4-(6-methoxy-pyridin-3-yl)-5-methyl-4H-[1,2,4]triazol-3-yl]-pyrazine
• 英文别名: 2-Chloro-5-[4-(6-methoxypyridin-3-yl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
• CAS: 848953-06-0
• 化学式: C₁₃H₁₁ClN₆O
• 分子量: 302.723
• InChiKey: HZMNBKOEISSKDF-UHFFFAOYSA-N

物化性质

• 沸点：
  514.1±60.0 °C(Predicted)
• 密度：
  1.47±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  78.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  乙基苯酚 、 2-chloro-5-[4-(6-methoxy-pyridin-3-yl)-5-methyl-4H-[1,2,4]triazol-3-yl]-pyrazine 在 caesium carbonate 作用下， 以 N-甲基吡咯烷酮 为溶剂， 生成 2-(2-ethylphenoxy)-5-(4-(6-methoxypyridin-3-yl)-5-methyl-4H-1,2,4-triazol-3-yl)pyrazine
  参考文献：
  名称：

  Aryloxypyrazines as highly selective antagonists of Oxytocin

  摘要：

  A series of aryloxypyrazines were designed based on structural overlap with previously reported arylpyrazine Oxytocin antagonists. Similarly high levels of Oxytocin antagonism were achievable in this new series. In addition, significant improvements in selectivity over the related vasopressin V(1A) receptor were also possible. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.160
• 作为产物：
  描述：

  5-氯吡嗪-2-羧酸甲酯 在 对甲苯磺酸 N-甲基吗啉 、 肼 、 三氯氧磷 作用下， 以 甲醇 、 二氯甲烷 、 xylene 为溶剂， 反应 80.0h， 生成 2-chloro-5-[4-(6-methoxy-pyridin-3-yl)-5-methyl-4H-[1,2,4]triazol-3-yl]-pyrazine
  参考文献：
  名称：

  WO2006/100557

  摘要：

  公开号：

文献信息

• [EN] SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS<br/>[FR] DERIVES DE TRIAZOLES SUBSTITUES EN TANT QU'ANTAGONISTES DE L'OXYTOCINE
  申请人：PFIZER LTD

  公开号：WO2005028452A1

  公开（公告）日：2005-03-31

  The present invention relates to a class of substituted 1,2,4-triazoles of formula (I) with activity as oxytocin antagonists, uses thereof, processes for the preparation thereof and compositions containing, said, inhibitors. These inhibitors have utility in a variety of therapeutic areas including sexual dysfunction, particularly premature ejaculation (P.E.).

  本发明涉及一类具有催产素拮抗活性的取代1,2,4-三唑化合物（I）的用途，其制备方法以及含有该类抑制剂的组合物。这些抑制剂在包括性功能障碍在内的多种治疗领域具有用途，特别是早泄（P.E.）。
• Substituted triazole derivatives as oxytocin antagonists
  申请人：Brown Alan Daniel

  公开号：US20050107382A1

  公开（公告）日：2005-05-19

  The present invention relates to a class of substituted 1,2,4-triazoles of formula (I) with activity as oxytocin antagonists, uses thereof, processes for the preparation thereof and compositions containing said inhibitors. These inhibitors have utility in a variety of therapeutic areas including sexual dysfunction, particularly premature ejaculation (P.E.).

  本发明涉及一类公式为(I)的取代1,2,4-三唑化合物，具有催产素拮抗活性，以及其用途、制备方法和含有该抑制剂的组合物。这些抑制剂在多种治疗领域中具有实用价值，包括性功能障碍，特别是早泄（P.E.）。
• Substituted Triazole Derivatives as Oxytocin Antagonists
  申请人：Brown Daniel Alan

  公开号：US20080108625A1

  公开（公告）日：2008-05-08

  The present invention relates to a class of substituted 1,2,4-triazoles of formula (I) with activity as oxytocin antagonists, uses thereof, processes for the preparation thereof and compositions containing said inhibitors. These inhibitors have utility in a variety of therapeutic areas including sexual dysfunction, particularly premature ejaculation (P.E.).

  本发明涉及一类式(I)的取代1,2,4-三唑化合物，具有催产素拮抗剂活性，其用途、制备方法和含有该抑制剂的组合物。这些抑制剂在多种治疗领域中具有用途，包括性功能障碍，特别是早泄(P.E.)。
• Substituted Triazole Derivatives As Oxytocin Antagonists
  申请人：Brown Alan Daniel

  公开号：US20100063064A1

  公开（公告）日：2010-03-11

  The present invention relates to a class of substituted 1,2,4-triazoles of formula (I) with activity as oxytocin antagonists, uses thereof, processes for the preparation thereof and compositions containing said inhibitors. These inhibitors have utility in a variety of therapeutic areas including sexual dysfunction, particularly premature ejaculation (P.E.).

  本发明涉及一类化学式(I)的取代1,2,4-三唑化合物，其具有催产素拮抗剂的活性，以及它们的用途、制备方法和含有这些抑制剂的组合物。这些抑制剂在多种治疗领域中具有实用性，包括性功能障碍，特别是早泄(P.E.)。
• SUBSTITUTED TRIAZOLE DERIVIATIVES AS OXYTOCIN ANTAGONISTS
  申请人：Brown Alan Daniel

  公开号：US20100222365A1

  公开（公告）日：2010-09-02

  The present invention relates to a class of substituted triazoles of formula (I) with activity as oxytocin antagonists, uses thereof, processes for the preparation thereof and compositions containing said inhibitors. These inhibitors have utility in a variety of therapeutic areas including sexual dysfunction, particularly premature ejaculation (P.E.).

  本发明涉及一类具有氧催产素拮抗剂活性的取代三唑的化合物(I)，以及它们的用途、制备方法和含有这些抑制剂的组合物。这些抑制剂在多种治疗领域中具有实用性，包括性功能障碍，特别是早泄（P.E.）。