1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-5-carbaldehyde | 1578484-85-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 硼酸衍生物
• 英文名称: 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-5-carbaldehyde
• 英文别名: 2-Methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-3-carbaldehyde；2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-3-carbaldehyde
• CAS: 1578484-85-1
• 化学式: C₁₁H₁₇BN₂O₃
• 分子量: 236.079
• InChiKey: AMEIYOFJSKNQTQ-UHFFFAOYSA-N

物化性质

• 沸点：
  373.5±27.0 °C(Predicted)
• 密度：
  1.12±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.53
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  53.4
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P330,P363,P501
• 危险性描述：
  H302,H312,H332

反应信息

• 作为反应物：
  描述：

  1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-5-carbaldehyde 在 titanium(IV) isopropylate 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 sodium cyanoborohydride 、 potassium carbonate 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 水 为溶剂， 反应 4.0h， 生成 (2S)-1-(2,5-dimethylpyrazol-3-yl)oxy-N-[[2-methyl-4-[1-tetrahydropyran-2-yl-3-(2-triisopropylsilylethynyl)indazol-5-yl]pyrazol-3-yl]methyl]propan-2-amine
  参考文献：
  名称：

  [EN] INDAZOLE CONTAINING MACROCYCLES AND THEIR USE
  [FR] MACROCYCLES CONTENANT DE L'INDAZOLE ET LEUR UTILISATION

  摘要：

  The present disclosure relates to indazole containing macrocyclic compounds, pharmaceutical compositions containing macrocyclic compounds, and methods of using macrocyclic compounds to treat disease, such as cancer.

  公开号：

  WO2023240138A1
• 作为产物：
  描述：

  1-甲基-1H-吡唑-5-甲醛 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 N-溴代丁二酰亚胺(NBS) 、 potassium acetate 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 14.0h， 生成 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-5-carbaldehyde
  参考文献：
  名称：

  [EN] INDAZOLE CONTAINING MACROCYCLES AND THEIR USE
  [FR] MACROCYCLES CONTENANT DE L'INDAZOLE ET LEUR UTILISATION

  摘要：

  The present disclosure relates to indazole containing macrocyclic compounds, pharmaceutical compositions containing macrocyclic compounds, and methods of using macrocyclic compounds to treat disease, such as cancer.

  公开号：

  WO2023240138A1

文献信息

• DIAZANAPHTHALEN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF
  申请人：Samumed, LLC

  公开号：US20190127370A1

  公开（公告）日：2019-05-02

  Diazanaphthalene compounds for treating various diseases and pathologies are disclosed. More particularly, the present disclosure concerns the use of a diazanaphthalene compound or analogs thereof, in the treatment of disorders characterized by the activation of Wnt pathway signaling (e.g., cancer, abnormal cellular proliferation, angiogenesis, Alzheimer's disease, lung disease, inflammation, auto-immune diseases and osteoarthritis), the modulation of cellular events mediated by Wnt pathway signaling, as well as neurological conditions/disorders/diseases linked to overexpression of DYRK1A.

  本公开涉及使用二氮萘化合物或其类似物治疗通过激活Wnt途径信号传导特征的疾病的方法。更具体地，本公开涉及在治疗由Wnt途径信号传导激活所特征化的疾病（例如癌症、异常细胞增殖、血管生成、阿尔茨海默病、肺部疾病、炎症、自身免疫疾病和骨关节炎）中使用二氮萘化合物或其类似物，以及调节由Wnt途径信号传导介导的细胞事件，以及与DYRK1A过表达相关的神经病症/紊乱/疾病。
• [EN] CYCLOHEXYL ACID PYRAZOLE AZINES AS LPA ANTAGONISTS<br/>[FR] AZINES PYRAZOLES D'ACIDE CYCLOHEXYLE UTILISÉS EN TANT QU'ANTAGONISTES DE LPA
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2019126089A1

  公开（公告）日：2019-06-27

  The present invention provides compounds of Formula (I): or a stereoisomer, tautomer, or pharmaceutically acceptable salt or solvate thereof, wherein all the variables are as defined herein. These compounds are selective LPA receptor inhibitors.

  本发明提供了式（I）的化合物：或其立体异构体、互变异构体或药学上可接受的盐或溶剂，其中所有变量如本文所定义。这些化合物是选择性LPA受体抑制剂。
• [EN] PHARMACOLOGICALLY ACTIVE COMPOUNDS<br/>[FR] COMPOSÉS PHARMACOLOGIQUEMENT ACTIFS
  申请人：CANCER REC TECH LTD

  公开号：WO2014037751A1

  公开（公告）日：2014-03-13

  The present invention relates to compounds of formula (II) wherein X, Y, R2, R3, R4 and Ar are all as defined herein. The compounds of the present invention are known to inhibit the spindle checkpoint function of Monospindle 1 (Mps1 – also known as TTK) kinases either directly or indirectly via interaction with the Mps1 kinase itself. In particular, the present invention relates to the use of these compounds as therapeutic agents for the treatment and/or prevention of proliferative diseases, such as cancer. The present invention also relates to processes for the preparation of these compounds, and to pharmaceutical compositions comprising them.

  本发明涉及式（II）的化合物，其中X、Y、R2、R3、R4和Ar均如本文所定义。本发明的化合物已知能够通过直接或间接与Mps1激酶相互作用来抑制单丝粒体1（Mps1-也被称为TTK）激酶的纺锤体检查点功能。具体地，本发明涉及将这些化合物用作治疗和/或预防增生性疾病，如癌症的治疗剂。本发明还涉及这些化合物的制备方法，以及包含它们的药物组合物。
• [EN] CYCLOHEXYL ACID PYRAZOLE AZOLES AS LPA ANTAGONISTS<br/>[FR] ACIDES PYRAZOLES AZOLES CYCLOHEXYLIQUES UTILISÉS EN TANT QU'ANTAGONISTES DE LPA
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2019126103A1

  公开（公告）日：2019-06-27

  The present invention provides compounds of Formula (I) or a stereoisomer, tautomer, or pharmaceutically acceptable salt or solvate thereof, wherein all the variables are as defined herein. These compounds are selective LPA receptor inhibitors.

  本发明提供了式（I）的化合物或其立体异构体、互变异构体或药学上可接受的盐或溶剂，其中所有变量如本文所定义。这些化合物是选择性LPA受体抑制剂。
• PHARMACOLOGICALLY ACTIVE COMPOUNDS
  申请人：CANCER RESEARCH TECHNOLOGY LIMITED

  公开号：US20150218181A1

  公开（公告）日：2015-08-06

  The present invention relates to compounds of formula II wherein X, Y, R 2 , R 3 , R 4 and Ar are all as defined herein. The compounds of the present invention are known to inhibit the spindle checkpoint function of Monospindle 1 (Mps1—also known as TTK) kinases either directly or indirectly via interaction with the Mps1 kinase itself. In particular, the present invention relates to the use of these compounds as therapeutic agents for the treatment and/or prevention of proliferative diseases, such as cancer. The present invention also relates to processes for the preparation of these compounds, and to pharmaceutical compositions comprising them.

  本发明涉及式II的化合物，其中X、Y、R2、R3、R4和Ar的定义如本文所述。本发明的化合物已知能够直接或间接地通过与Mps1激酶本身的相互作用来抑制单纺锤体1（Mps1，也称为TTK）激酶的纺锤体检查点功能。特别地，本发明涉及使用这些化合物作为治疗和/或预防增殖性疾病，如癌症的治疗剂。本发明还涉及制备这些化合物的方法，以及包含它们的制药组合物。