4-[[4-氨基-5-(2,6-二氟苯甲酰基)-1,3-噻唑-2-基]氨基]苯磺酰胺 | 223784-75-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-[[4-氨基-5-(2,6-二氟苯甲酰基)-1,3-噻唑-2-基]氨基]苯磺酰胺
• 英文名称: 4-[4-amino-5-(2,6-difluoro-benzoyl)-thiazol-2-ylamino]-benzenesulfonamide
• 英文别名: 2-amino-4-[4-amino-5-(2,6-difluoro-benzoyl)-thiazol-2-ylamino]-benzenesulfonamide；Benzenesulfonamide, 4-((4-amino-5-(2,6-difluorobenzoyl)-2-thiazolyl)amino)-；4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
• CAS: 223784-75-6
• 化学式: C₁₆H₁₂F₂N₄O₃S₂
• 分子量: 410.425
• InChiKey: BWWQFAUYHCRZKB-UHFFFAOYSA-N

物化性质

• 沸点：
  701.8±70.0 °C(Predicted)
• 密度：
  1.603±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  165
• 氢给体数：
  3
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  氰胺 、 4-异硫氰基苯磺酰胺 、 2-溴-1-(2,6-二氟苯基)乙酮 以69%的产率得到4-[[4-氨基-5-(2,6-二氟苯甲酰基)-1,3-噻唑-2-基]氨基]苯磺酰胺
  参考文献：
  名称：

  4-Aminothiazole derivatives, their preparation and their use as inhibitors of cyclin-dependent kinases

  摘要：

  公开号：

  EP1215208B1

文献信息

• Compounds, pharmaceutical compositions, and methods for inhibiting cyclin-dependent kinases
  申请人：——

  公开号：US20030220326A1

  公开（公告）日：2003-11-27

  Pharmaceutical compositions containing effective amounts of CDK-inhibiting diaminothiazole compounds of the following formula (where R 1 and R 2 are as defined in the specification) or their salts, or prodrugs or active metabolites of such compounds or salts, are useful for treating disorders and diseases such as cancer: 1 In preferred embodiments, R 1 and R 2 are independently unsubstituted or substituted carbocyclic or heterocyclic aryl ring structures. Compounds where R 2 is ortho-substituted aryl are especially potent inhibitors of CDKs such as CDK4.

  含有以下公式中CDK抑制二氨基噻唑化合物的有效量的药物组合物（其中R1和R2如规范所定义）或其盐，或这些化合物或盐的前药或活性代谢物，可用于治疗癌症等疾病和疾病。在首选实施例中，R1和R2分别是未取代或取代的碳环或杂环芳香环结构。其中R2为邻位取代芳香族的化合物特别是CDKs如CDK4的有效抑制剂。
• 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES
  申请人：AGOURON PHARMACEUTICALS, INC.

  公开号：EP1056732A2

  公开（公告）日：2000-12-06
• THREE HYBRID ASSAY SYSTEM
  申请人：GPC Biotech AG

  公开号：EP1364212B1

  公开（公告）日：2011-02-02
• INHIBITORS AND THEIR USES
  申请人：The University of Nottingham

  公开号：US20190038625A1

  公开（公告）日：2019-02-07

  The invention relates to inhibitors of CDK12 (cyclin-dependent kinase 12), and there use in the treatment or prevention of a disorder in a subject caused by the generation of repeat expansion transcripts.
• PHARMACEUTICAL COMBINATION FOR TREATMENT OF CANCER
  申请人：ArQule, Inc.

  公开号：US20200155521A1

  公开（公告）日：2020-05-21

  The present application is drawn to methods of treating a cell proliferative disorder, such as a cancer, comprising administering to a subject in need thereof a therapeutically effective amount of a composition comprising at least one of Compound 1, Compound 2, and Compound 3, or a pharmaceutically acceptable salt, solvate, hydrate, or prodrug thereof, and at least one second therapeutic agent or a pharmaceutically acceptable salt, solvate, hydrate, or prodrug thereof, wherein the cell proliferative disorder is treated.