5-Tert-butyl-2-(4-methoxyphenyl)pyrazole-3-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-Tert-butyl-2-(4-methoxyphenyl)pyrazole-3-carboxylic acid
• 英文别名: 5-tert-butyl-2-(4-methoxyphenyl)pyrazole-3-carboxylic acid
• 化学式: C₁₅H₁₈N₂O₃
• 分子量: 274.31
• InChiKey: OWWZNLRWZRVATO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  64.4
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• 1-(5-tert-butyl-2-aryl-pyrazol-3-yl)-3-[2-fluoro-4-[(3-oxo-4H-pyrido [2, 3-B]pyrazin- 8-yl)oxy]phenyl]urea derivatives as RAF inhibitors for the treatment of cancer
  申请人：CANCER RESEARCH TECHNOLOGY LIMITED

  公开号：US10167282B2

  公开（公告）日：2019-01-01

  The present invention pertains generally to the field of therapeutic compounds. More specifically the present invention pertains to certain 1-(5-tert-butyl-2-aryl-pyrazol-3-yl)-3-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea compounds (referred herein as “TBAP compounds”) that, inter alia, inhibit RAF (e.g., BRAF, CRAF, etc.). The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit RAF (e.g., BRAF, CRAF, etc.); and to treat disorders including: proliferative disorders; cancer (including, e.g., malignant melanoma, colorectal carcinoma, pancreatic adenocarcinoma); inflammation; immunological disorders; viral infections; fibrotic disorders; disorders associated with a mutated form of RAF (e.g., BRAF, CRAF, etc.); disorders ameliorated by the inhibition of RAF (e.g., BRAF, CRAF, etc.); disorders ameliorated by the inhibition of mutant BRAF; disorders ameliorated by the inhibition of BRAF and CRAF; disorders associated with RAS mutations and/or MAPK pathway activation; disorders ameliorated by the inhibition of SRC, p38, FGFRA, VEGFR-2 (KDR), and/or LCK; etc.

  本发明一般涉及治疗化合物领域。更具体地说，本发明涉及某些 1-(5-叔丁基-2-芳基-吡唑-3-基)-3-[2-氟-4-[(3-氧代-4H-吡啶并[2,3-b]吡嗪-8-基)氧基]苯基]脲化合物（本文称为 "TBAP 化合物"），除其他外，这些化合物可抑制 RAF（如 BRAF、CRAF 等）。本发明还涉及包含此类化合物的药物组合物，以及此类化合物和组合物在体外和体内抑制 RAF（如 BRAF、CRAF 等）和治疗包括以下疾病在内的疾病的用途：增殖性疾病；癌症（包括如恶性黑色素瘤、结肠癌等）、恶性黑色素瘤、结肠直肠癌、胰腺腺癌）；炎症；免疫紊乱；病毒感染；纤维化紊乱；与 RAF（如 BRAF、CRAF 等）突变形式相关的紊乱、BRAF、CRAF 等）；抑制 RAF（如 BRAF、CRAF 等）可改善的疾病；抑制突变型 BRAF 可改善的疾病；抑制 BRAF 和 CRAF 可改善的疾病；与 RAS 突变和/或 MAPK 通路激活相关的疾病；抑制 SRC、p38、FGFRA、VEGFR-2（KDR）和/或 LCK 可改善的疾病等。
• 1-(5-TERT-BUTYL-2-ARYL-PYRAZOL-3-YL)-3-[2-FLUORO-4-[(3-OXO-4H-PYRIDO[2, 3-B]PYRAZIN-8-YL)OXY]PHENYL]UREA DERIVATIVES AS RAF INHIBITORS FOR THE TREATMENT OF CANCER
  申请人：Cancer Research Technology Ltd

  公开号：EP3074396B1

  公开（公告）日：2019-05-01
• 1 -(5-TERT-BUTYL-2-ARYL-PYRAZOL-3-YL)-3-[2-FLUORO-4-[(3-OXO-4H-PYRIDO[2, 3-B]PYRAZIN-8-YL)OXY]PHENYL]UREA DERIVATIVES AS RAF INHIBITORS FOR THE TREATMENT OF CANCER
  申请人：CANCER RESEARCH TECHNOLOGY LIMITED

  公开号：US20160355510A1

  公开（公告）日：2016-12-08

  The present invention pertains generally to the field of therapeutic compounds. More specifically the present invention pertains to certain 1-(5-tert-butyl-2-aryl-pyrazol-3-yl)-3-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea compounds (referred herein as “TBAP compounds”) that, inter alia, inhibit RAF (e.g., BRAF, CRAF, etc.). The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit RAF (e.g., BRAF, CRAF, etc.); and to treat disorders including proliferative disorders; cancer (including, e.g., malignant melanoma, colorectal carcinoma, pancreatic adenocarcinoma); inflammation; immunological disorders; viral infections; fibrotic disorders; disorders associated with a mutated form of RAF (e.g. BRAF, CRAF, etc.); disorders ameliorated by the inhibition of RAF (e.g., BRAF. CRAF, etc.); disorders ameliorated by the inhibition of mutant BRAF; disorders ameliorated by the inhibition of BRAF and CRAF; disorders associated with RAS mutations and/or MAPK pathway activation; disorders ameliorated by the inhibition of SRC, p38, FGFRA, VEGFR-2 (KDR), and/or LCK; etc.
• US9725447B2
  申请人：——

  公开号：US9725447B2

  公开（公告）日：2017-08-08