3-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-4,5,6,7-四氢吡唑并[1,5-a]吡啶 | 1160614-73-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 硼酸衍生物
• 中文名称: 3-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-4,5,6,7-四氢吡唑并[1,5-a]吡啶
• 中文别名: 3-(四甲基-1,3,2-二氧杂硼烷-2-基)-4H,5H,6H,7H-吡唑并[1,5-a]吡啶
• 英文名称: 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
• CAS: 1160614-73-2
• 化学式: C₁₃H₂₁BN₂O₂
• 分子量: 248.133
• InChiKey: CGAYURSTZWQWLD-UHFFFAOYSA-N

物化性质

• 沸点：
  387.2±30.0 °C(Predicted)
• 密度：
  1.14±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.52
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  36.3
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  3-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-4,5,6,7-四氢吡唑并[1,5-a]吡啶 在 ammonium hydroxide 、 potassium phosphate 、 XPhos Pd G2 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 22.0h， 生成 5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyridin-2-amine
  参考文献：
  名称：

  Chemical Compounds

  摘要：

  提供了一系列新颖的吡啶或嘧啶衍生物，可以抑制CDK9，并可能对治疗过度增殖性疾病有用。特别是这些化合物在治疗增殖性疾病方面具有用途，如癌症，包括血液恶性肿瘤，如急性髓细胞白血病，多发性骨髓瘤，慢性淋巴细胞白血病，弥漫性大B细胞淋巴瘤，Burkitt淋巴瘤，滤泡性淋巴瘤以及实体肿瘤，如乳腺癌，肺癌，神经母细胞瘤和结肠癌。

  公开号：

  US20160376287A1
• 作为产物：
  描述：

  4,5,6,7-四氢吡唑并[1,5-a]吡啶 在 N-溴代丁二酰亚胺(NBS) 、 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.83h， 生成 3-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-4,5,6,7-四氢吡唑并[1,5-a]吡啶
  参考文献：
  名称：

  [EN] PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE
  [FR] COMPOSÉS PYRIDO[3,2-D]PYRIMIDINE ET LEURS UTILISATIONS POUR LE TRAITEMENT D'UNE MALADIE PROLIFÉRATIVE

  摘要：

  化合物、组合物及其在治疗增殖性疾病或病症中的用途，如上述增殖性疾病或病症与RAF基因突变和/或RAS基因突变有关。所公开的化合物为式 I 或其药学上可接受的盐或溶液，其中 R1、R2、R3、X1、X2、X3 和 X4 如本文所定义：。

  公开号：

  WO2022221939A1

文献信息

• [EN] 2 - (2, 4, 5 - SUBSTITUTED -ANILINO) PYRIMIDINE DERIVATIVES AS EGFR MODULATORS USEFUL FOR TREATING CANCER<br/>[FR] DÉRIVÉS DE 2-(ANILINO 2,4,5-SUBSTITUÉ)PYRIMIDINE UTILISÉS COMME MODULATEURS DE L'EGFR UTILES POUR LE TRAITEMENT D'UN CANCER
  申请人：ASTRAZENECA AB

  公开号：WO2013014448A1

  公开（公告）日：2013-01-31

  The present invention relates to certain 2-(2,4,5-substituted-anilino) pyrimidine compounds and pharmaceutically acceptable salts thereof which may be useful in the treatment or prevention of a disease or medical condition mediated through certain mutated forms of epidermal growth factor receptor (for example the L858R activating mutant, the Exonl9 deletion activating mutant and the T790M resistance mutant). Such compounds and salts thereof may be useful in the treatment or prevention of a number of different cancers. The invention also relates to pharmaceutical compositions comprising said compounds and salts thereof, especially useful polymorphic forms of these compounds and salts, intermediates useful in the manufacture of said compounds and to methods of treatment of diseases mediated by various different forms of EGFR using said compounds and salts thereof.

  本发明涉及某些2-(2,4,5-取代苯胺基)嘧啶化合物及其药学上可接受的盐，这些化合物可能在治疗或预防通过某些突变形式的表皮生长因子受体介导的疾病或医疗状况中有用（例如L858R激活突变体、Exonl9缺失激活突变体和T790M耐药突变体）。这些化合物及其盐可能在治疗或预防多种不同癌症方面有用。该发明还涉及包含所述化合物和盐的药物组合物，特别是这些化合物和盐的有用多形式，用于制造所述化合物的中间体，以及使用所述化合物和盐治疗通过各种不同形式的EGFR介导的疾病的方法。
• 2-(2,4,5-SUBSTITUTED-ANILINO) PYRIMIDINE COMPOUNDS
  申请人：BUTTERWORTH Sam

  公开号：US20130053409A1

  公开（公告）日：2013-02-28

  The present invention relates to certain 2-(2,4,5-substituted-anilino)pyrimidine compounds and pharmaceutically acceptable salts thereof which may be useful in the treatment or prevention of a disease or medical condition mediated through certain mutated forms of epidermal growth factor receptor (for example the L858R activating mutant, the Exon19 deletion activating mutant and the T790M resistance mutant). Such compounds and salts thereof may be useful in the treatment or prevention of a number of different cancers. The invention also relates to pharmaceutical compositions comprising said compounds and salts thereof, especially useful polymorphic forms of these compounds and salts, intermediates useful in the manufacture of said compounds and to methods of treatment of diseases mediated by various different forms of EGFR using said compounds and salts thereof.

  本发明涉及某些2-(2,4,5-取代苯胺基)嘧啶化合物及其药学上可接受的盐，这些化合物可能对通过某些突变表皮生长因子受体介导的疾病或医疗状况（例如L858R激活突变体、Exon19缺失激活突变体和T790M耐药突变体）的治疗或预防有用。这些化合物及其盐可能对多种不同的癌症的治疗或预防有用。本发明还涉及包含这些化合物及其盐的药物组合物，特别是这些化合物及其盐的有用多形式，以及用于制造这些化合物的中间体和使用这些化合物及其盐治疗通过不同形式的EGFR介导的疾病的方法。
• 2-(2,4,5-substituted-anilino) pyrimidine compounds
  申请人：Butterworth Sam

  公开号：US08946235B2

  公开（公告）日：2015-02-03

  The present invention relates to certain 2-(2,4,5-substituted-anilino)pyrimidine compounds and pharmaceutically acceptable salts thereof which may be useful in the treatment or prevention of a disease or medical condition mediated through certain mutated forms of epidermal growth factor receptor (for example the L858R activating mutant, the Exon19 deletion activating mutant and the T790M resistance mutant). Such compounds and salts thereof may be useful in the treatment or prevention of a number of different cancers. The invention also relates to pharmaceutical compositions comprising said compounds and salts thereof, especially useful polymorphic forms of these compounds and salts, intermediates useful in the manufacture of said compounds and to methods of treatment of diseases mediated by various different forms of EGFR using such compounds and salts thereof.

  本发明涉及某些2-(2,4,5-取代苯胺基)嘧啶化合物及其药学上可接受的盐，可用于治疗或预防经由某些突变表皮生长因子受体介导的疾病或医疗状况（例如L858R激活突变体、Exon19缺失激活突变体和T790M耐药突变体）。这些化合物及其盐可用于治疗或预防多种不同的癌症。本发明还涉及包含所述化合物及其盐的药物组合物，特别是这些化合物及其盐的有用多晶形式、制造这些化合物的中间体以及使用这些化合物及其盐治疗不同形式的EGFR介导疾病的方法。
• 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS
  申请人：AstraZeneca AB

  公开号：US20150119379A1

  公开（公告）日：2015-04-30

  The present invention relates to certain 2-(2,4,5-substituted-anilino)pyrimidine compounds and pharmaceutically acceptable salts thereof which may be useful in the treatment or prevention of a disease or medical condition mediated through certain mutated forms of epidermal growth factor receptor (for example the L858R activating mutant, the Exon19 deletion activating mutant and the T790M resistance mutant). Such compounds and salts thereof may be useful in the treatment or prevention of a number of different cancers. The invention also relates to pharmaceutical compositions comprising said compounds and salts thereof, especially useful polymorphic forms of these compounds and salts, intermediates useful in the manufacture of said compounds and to methods of treatment of diseases mediated by various different forms of EGFR using said compounds and salts thereof.

  本发明涉及某些2-(2,4,5-取代苯胺基)嘧啶化合物及其药学上可接受的盐，可用于治疗或预防通过某些突变的表皮生长因子受体介导的疾病或医疗情况（例如L858R激活突变体、Exon19缺失激活突变体和T790M耐药突变体）。这些化合物及其盐可用于治疗或预防多种不同类型的癌症。本发明还涉及包含所述化合物和盐的制药组合物，特别是这些化合物和盐的有用多晶形式，以及用于制造所述化合物的中间体和使用所述化合物和盐治疗不同形式EGFR介导的疾病的方法。
• EGFR INHIBITOR, COMPOSITION AND PREPARATION METHOD THEREFOR
  申请人：BETTA PHARMACEUTICALS CO., LTD.

  公开号：US20220402948A1

  公开（公告）日：2022-12-22

  The present invention relates to the compounds of Formula I, methods of using these compounds as EGFR inhibitors, and pharmaceutical compositions comprising compounds thereof. The compounds are used for treating, preventing or ameliorating diseases or disorders such as cancer or infections.

  本发明涉及化合物I的配方、使用这些化合物作为EGFR抑制剂的方法，以及包含这些化合物的药物组合物。这些化合物可用于治疗、预防或改善诸如癌症或感染等疾病或障碍。