3-(2-(methylthio)pyrimidin-4-yl)benzo[d]isoxazole | 918870-25-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并异恶唑
• 英文名称: 3-(2-(methylthio)pyrimidin-4-yl)benzo[d]isoxazole
• 英文别名: 3-(2-methylsulfanyl-pyrimidin-4-yl)-benzo[d]isoxazole；3-[2-(Methylsulfanyl)pyrimidin-4-yl]-1,2-benzoxazole；3-(2-methylsulfanylpyrimidin-4-yl)-1,2-benzoxazole
• CAS: 918870-25-4
• 化学式: C₁₂H₉N₃OS
• 分子量: 243.289
• InChiKey: ZFGXRJUOJVRJTA-UHFFFAOYSA-N

物化性质

• 沸点：
  460.6±20.0 °C(Predicted)
• 密度：
  1.38±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  77.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-(2-(methylthio)pyrimidin-4-yl)benzo[d]isoxazole 在 ammonium hydroxide 、 间氯过氧苯甲酸 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成 4-(benzo[d]isoxazol-3-yl)pyrimidin-2-amine
  参考文献：
  名称：

  2-ARYLAMINO PYRIDINE, PYRIDINE OR TRIAZINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF

  摘要：

  公开号：

  EP3345906B1
• 作为产物：
  描述：

  4-碘-2-甲基磺酰基嘧啶 在 吡啶 、 manganese(IV) oxide 、 盐酸羟胺 、 异丙基氯化镁 、 sodium hydride 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 27.5h， 生成 3-(2-(methylthio)pyrimidin-4-yl)benzo[d]isoxazole
  参考文献：
  名称：

  The development of 2-benzimidazole substituted pyrimidine based inhibitors of lymphocyte specific kinase (Lck)

  摘要：

  This communication details the synthesis, biological activity, and binding mode of a novel class of 2-benzimidazole substituted pyrimidines. The most potent analogs disclosed showed low nanomolar activity for the inhibition of Lck kinase and a representative analog was co-crystallized with Hck (a structurally related member of the Src family kinases).

  DOI：

  10.1016/j.bmcl.2006.08.132

文献信息

• JNK modulators
  申请人：Dunn James Patrick

  公开号：US20080146565A1

  公开（公告）日：2008-06-19

  Compounds of formula I modulate JNK: wherein the variables are as defined herein.

  式I的化合物调节JNK： 其中变量的定义如本文所述。
• 2-arylamino pyridine, pyrimidine or triazine derivatives, preparation method and use thereof
  申请人：Wuxi Shuangliang Biotechnology Co., Ltd.

  公开号：US10377747B2

  公开（公告）日：2019-08-13

  The present disclosure relates to 2-arylamino pyridine, pyrimidine, or triazine derivatives, and the preparation method and use thereof. The 2-arylamino pyridine, pyrimidine, or triazine derivatives may act on certain mutated forms of epidermal growth factor receptor, for example the L858R activating mutant, the delE746_A750 mutant, the Exonl9 deletion activating mutant, and the T790M resistance mutant, so as to be used for treatment and prevention of diseases and medical conditions. The 2-arylamino pyridine, pyrimidine, or triazine derivatives may be used for treatment and prevention of cancer. The present disclosure also relates to a pharmaceutical composition comprising 2-arylamino pyridine, pyrimidine, or triazine derivatives, intermediates useful in the manufacture of 2-arylamino pyridine, pyrimidine, or triazine derivatives, and to methods of treatment of diseases mediated by various different forms of EGFR using 2-arylamino pyridine, pyrimidine, or triazine derivatives.

  本公开涉及 2-芳基氨基吡啶、嘧啶或三嗪衍生物及其制备方法和用途。2-芳基氨基吡啶、嘧啶或三嗪衍生物可作用于表皮生长因子受体的某些突变形式，例如 L858R 激活突变体、delE746_A750 突变体、Exonl9 缺失激活突变体和 T790M 抗性突变体，从而可用于治疗和预防疾病和病症。2-芳基氨基吡啶、嘧啶或三嗪衍生物可用于治疗和预防癌症。本公开还涉及包含 2-芳基氨基吡啶、嘧啶或三嗪衍生物的药物组合物，用于制造 2-芳基氨基吡啶、嘧啶或三嗪衍生物的中间体，以及使用 2-芳基氨基吡啶、嘧啶或三嗪衍生物治疗由各种不同形式的表皮生长因子受体介导的疾病的方法。
• [EN] 2-ARYLAMINO PYRIDINE, PYRIDINE OR TRIAZINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF<br/>[FR] 2-ARYLAMINO PYRIDINE, DÉRIVÉ DE PYRIDINE OU DE TRIAZINE, LEUR PROCÉDÉ DE PRÉPARATION ET LEUR UTILISATION<br/>[ZH] 2-芳胺基吡啶、嘧啶或三嗪衍生物及其制备方法和用途
  申请人：WUXI SHUANGLIANG BIOTECHNOLOGY CO LTD

  公开号：WO2017035753A1

  公开（公告）日：2017-03-09

  本发明涉及2-芳胺基吡啶、嘧啶或三嗪衍生物及其制备方法和用途。所述2-芳胺基吡啶、嘧啶或三嗪衍生物可以作用于某些突变形式的表皮生长因子受体，例如L858R激活突变体、delE746_A750突变体、Exonl9缺失激活突变体和T790M耐药突变体，从而用于疾病和病况的治疗和预防。所述2-芳胺基吡啶、嘧啶或三嗪衍生物可用于癌症的治疗和预防。本发明还涉及包含2-芳胺基吡啶、嘧啶或三嗪衍生物的药物组合物，可用于制备2-芳胺基吡啶、嘧啶或三嗪衍生物的中间体，以及利用2-芳胺基吡啶、嘧啶或三嗪衍生物治疗由各种不同形式EGFR所介导的疾病的方法。
• 2-ARYLAMINO PYRIDINE, PYRIMIDINE OR TRIAZINE DERIVATIVES, PREPARATION METHOD AND USE THEREOF
  申请人：Wuxi Shuangliang Biotechnology Co., Ltd.

  公开号：US20180208585A1

  公开（公告）日：2018-07-26

  The present disclosure relates to 2-arylamino pyridine, pyrimidine, or triazine derivatives, and the preparation method and use thereof. The 2-arylamino pyridine, pyrimidine, or triazine derivatives may act on certain mutated forms of epidermal growth factor receptor, for example the L858R activating mutant, the delE746_A750 mutant, the Exon19 deletion activating mutant, and the T790M resistance mutant, so as to be used for treatment and prevention of diseases and medical conditions. The 2-arylamino pyridine, pyrimidine, or triazine derivatives may be used for treatment and prevention of cancer. The present disclosure also relates to a pharmaceutical composition comprising 2-arylamino pyridine, pyrimidine, or triazine derivatives, intermediates useful in the manufacture of 2-arylamino pyridine, pyrimidine, or triazine derivatives, and to methods of treatment of diseases mediated by various different forms of EGFR using 2-arylamino pyridine, pyrimidine, or triazine derivatives.
• US8399462B2
  申请人：——

  公开号：US8399462B2

  公开（公告）日：2013-03-19