2-溴-5-氯-4-三氟甲基吡啶 | 1188476-72-3

• 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
• 中文名称: 2-溴-5-氯-4-三氟甲基吡啶
• 英文名称: 2-bromo-5-chloro-4-(trifluoromethyl)pyridine
• CAS: 1188476-72-3
• 化学式: C₆H₂BrClF₃N
• 分子量: 260.441
• InChiKey: LUCNBTHJRJGMTJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-溴-5-氯-4-三氟甲基吡啶 、 1-methyl-4-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1H-pyrazole 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 以42%的产率得到5-chloro-2-[3-(1-methyl-1H-pyrazol-4-yl)phenyl]-4-trifluoromethylpyridine
  参考文献：
  名称：

  [EN] HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF
  [FR] COMPOSÉS HÉTÉROARYLES SERVANT D'INHIBITEURS D'IRAK, ET LEURS UTILISATIONS

  摘要：

  本发明涉及式I化合物或其药用可接受盐，用作IRAK抑制剂。

  公开号：

  WO2016081679A1

文献信息

• HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF
  申请人：Merck Patent GmbH

  公开号：US20160145252A1

  公开（公告）日：2016-05-26

  The present invention relates to compounds of Formula I and pharmaceutically acceptable compositions thereof, useful as IRAK inhibitors.

  本发明涉及公式I化合物及其药学上可接受的组合物，作为IRAK抑制剂有用。
• INHIBITORS OF CYCLIN-DEPENDENT KINASES
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：EP4019515A1

  公开（公告）日：2022-06-29

  The present invention provides novel compounds of Formulae (I'), (I), (II'), and (II), and pharmaceutically acceptable salts, solvates, hydrates, polymorphs, co-crystals, tautomers, stereoisomers, isotopically labeled derivatives, prodrugs, and compositions thereof. Also provided are methods and kits involving the inventive compounds or compositions for treating and/or preventing proliferative diseases (e.g., cancers (e.g., leukemia, acute lymphoblastic leukemia, lymphoma, Burkitt's lymphoma, melanoma, multiple myeloma, breast cancer, Ewing's sarcoma, osteosarcoma, brain cancer, ovarian cancer, neuroblastoma, lung cancer, colorectal cancer), benign neoplasms, diseases associated with angiogenesis, inflammatory diseases, autoinflammatory diseases, and autoimmune diseases) in a subject. Treatment of a subject with a proliferative disease using a compound or composition of the invention may inhibit the aberrant activity of a kinase, such as a cyclin-dependent kinase (CDK) (e.g., CDK7, CDK12, or CDK13), and therefore, induce cellular apoptosis and/or inhibit transcription in the subject.

  本发明提供了式(I')、(I)、(II')和(II)的新型化合物及其药学上可接受的盐、溶液剂、水合物、多晶型、共晶体、同分异构体、立体异构体、同位素标记的衍生物、原药及其组合物。还提供了涉及本发明化合物或组合物的方法和试剂盒，用于治疗和/或预防增殖性疾病（如癌症（如、白血病、急性淋巴细胞白血病、淋巴瘤、伯基特淋巴瘤、黑色素瘤、多发性骨髓瘤、乳腺癌、尤文氏肉瘤、骨肉瘤、脑癌、卵巢癌、神经母细胞瘤、肺癌、结直肠癌）、良性肿瘤、与血管生成相关的疾病、炎症性疾病、自身炎症性疾病和自身免疫性疾病）的方法和试剂盒。使用本发明的化合物或组合物治疗患有增殖性疾病的受试者，可抑制激酶的异常活性，如细胞周期蛋白依赖性激酶（CDK）（如CDK7、CDK12或CDK13），从而诱导细胞凋亡和/或抑制受试者的转录。
• Heteroaryl compounds as IRAK inhibitors and uses thereof
  申请人：Merck Patent GmbH

  公开号：US10030013B2

  公开（公告）日：2018-07-24

  The present invention relates to compounds of Formula I and pharmaceutically acceptable compositions thereof, useful as IRAK inhibitors.

  本发明涉及可用作 IRAK 抑制剂的式 I 化合物及其药学上可接受的组合物。
• Inhibitors of cyclin-dependent kinases
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：US11142507B2

  公开（公告）日：2021-10-12

  The present invention provides novel compounds of Formulae (I′), (I), (II′), and (II), and pharmaceutically acceptable salts, solvates, hydrates, polymorphs, co-crystals, tautomers, stereoisomers, isotopically labeled derivatives, prodrugs, and compositions thereof. Also provided are methods and kits involving the inventive compounds or compositions for treating and/or preventing proliferative diseases (e.g., cancers (e.g., leukemia, acute lymphoblastic leukemia, lymphoma, Burkitt's lymphoma, melanoma, multiple myeloma, breast cancer, Ewing's sarcoma, osteosarcoma, brain cancer, ovarian cancer, neuroblastoma, lung cancer, colorectal cancer), benign neoplasms, diseases associated with angiogenesis, inflammatory diseases, autoinflammatory diseases, and autoimmune diseases) in a subject. Treatment of a subject with a proliferative disease using a compound or composition of the invention may inhibit the aberrant activity of a kinase, such as a cyclin-dependent kinase (CDK) (e.g., CDK7, CDK12, or CDK13), and therefore, induce cellular apoptosis and/or inhibit transcription in the subject.

  本发明提供了式(I′)、(I)、(II′)和(II)的新型化合物及其药学上可接受的盐、溶液剂、水合物、多晶型、共晶体、同系物、立体异构体、同位素标记的衍生物、原药及其组合物。还提供了涉及本发明化合物或组合物的方法和试剂盒，用于治疗和/或预防增殖性疾病（如癌症（如、白血病、急性淋巴细胞白血病、淋巴瘤、伯基特淋巴瘤、黑色素瘤、多发性骨髓瘤、乳腺癌、尤文氏肉瘤、骨肉瘤、脑癌、卵巢癌、神经母细胞瘤、肺癌、结直肠癌）、良性肿瘤、与血管生成相关的疾病、炎症性疾病、自身炎症性疾病和自身免疫性疾病）的方法和试剂盒。使用本发明的化合物或组合物治疗患有增殖性疾病的受试者，可抑制激酶的异常活性，如细胞周期蛋白依赖性激酶（CDK）（如CDK7、CDK12或CDK13），从而诱导细胞凋亡和/或抑制受试者的转录。
• [EN] INHIBITORS OF CYCLIN-DEPENDENT KINASES<br/>[FR] INHIBITEURS DE KINASES CYCLINE-DÉPENDANTES
  申请人：DANA FARBER CANCER INST INC

  公开号：WO2017044858A3

  公开（公告）日：2017-04-27