2-{3,5-dimethyl-4-[2-(2,2,2-trifluoroethylamino)ethoxy]phenyl}-5,7-dimethoxy-3H-quinazolin-4-one | 1253733-05-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-{3,5-dimethyl-4-[2-(2,2,2-trifluoroethylamino)ethoxy]phenyl}-5,7-dimethoxy-3H-quinazolin-4-one
• 英文别名: 2-{3,5-dimethyl-4-[2-(2,2,2-trifluoro-ethylamino)-ethoxy]-phenyl}-5,7-dimethoxy-3H-quinazolin-4-one；2-[3,5-dimethyl-4-[2-(2,2,2-trifluoroethylamino)ethoxy]phenyl]-5,7-dimethoxy-3H-quinazolin-4-one
• CAS: 1253733-05-9
• 化学式: C₂₂H₂₄F₃N₃O₄
• 分子量: 451.445
• InChiKey: PYLDFPVGGNHJSO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  81.2
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2,2,2-三氟乙基胺 、 2-[4-(2-bromoethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-3H-quinazolin-4-one 在 三乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以15%的产率得到2-{3,5-dimethyl-4-[2-(2,2,2-trifluoroethylamino)ethoxy]phenyl}-5,7-dimethoxy-3H-quinazolin-4-one
  参考文献：
  名称：

  TREATMENT OF DISEASES BY EPIGENETIC REGULATION

  摘要：

  本公开提供了抑制溴结构域和额外末端结构域（BET）蛋白的非天然存在的多酚化合物。所公开的组合物和方法可用于治疗和预防对BET抑制剂易感的疾病或疾病。

  公开号：

  US20130281398A1

文献信息

• [EN] NOVEL ANTI-INFLAMMATORY AGENTS<br/>[FR] NOUVEAUX AGENTS ANTI-INFLAMMATOIRES
  申请人：RESVERLOGIX CORP

  公开号：WO2010123975A1

  公开（公告）日：2010-10-28

  Disclosed are methods of regulating interleukin-6 (IL-6) and/or vascular cell adhesion molecule-1 (VCAM-1) and methods of treating and/or preventing cardiovascular and inflammatory diseases and related disease states, such as, for example, atherosclerosis, asthma, arthritis, cancer, multiple sclerosis, psoriasis, and inflammatory bowel diseases, and autoimmune disease(s) by administering a naturally occurring or synthetic quinazolone derivative. The invention provides novel synthetic quinazolone compounds, as well as pharmaceutical compositions comprising those compounds.

  揭示了调节白细胞介素-6（IL-6）和/或血管细胞粘附分子-1（VCAM-1）的方法，以及治疗和/或预防心血管和炎症性疾病及相关疾病状态的方法，例如动脉粥样硬化、哮喘、关节炎、癌症、多发性硬化、牛皮癣和炎症性肠病以及自身免疫疾病，通过给予天然存在或合成的喹唑啉衍生物。该发明提供了新颖的合成喹唑啉化合物，以及包含这些化合物的药物组合物。
• NOVEL ANTI-INFLAMMATORY AGENTS
  申请人：Hansen Henrik C.

  公开号：US20120059002A1

  公开（公告）日：2012-03-08

  Disclosed are methods of regulating interleukin-6 (IL-6) and/or vascular cell adhesion molecule-1 (VCAM-1) and methods of treating and/or preventing cardiovascular and inflammatory diseases and related disease states, such as, for example, atherosclerosis, asthma, arthritis, cancer, multiple sclerosis, psoriasis, and inflammatory bowel diseases, and autoimmune disease(s) by administering a naturally occurring or synthetic quinazolone derivative. The invention provides novel synthetic quinazolone compounds, as well as pharmaceutical compositions comprising those compounds.

  本发明涉及调节白细胞介素-6（IL-6）和/或血管细胞黏附分子-1（VCAM-1）的方法，以及治疗和/或预防心血管和炎症性疾病及相关疾病状态的方法，例如动脉粥样硬化、哮喘、关节炎、癌症、多发性硬化、牛皮癣和炎性肠病等自身免疫疾病，通过给予天然或合成的喹唑啉衍生物。该发明提供了新型合成喹唑啉化合物，以及包含这些化合物的药物组合物。
• US9757368B2
  申请人：——

  公开号：US9757368B2

  公开（公告）日：2017-09-12
• [EN] THE USE OF SUBSTITUTED 2-PHENYL-3H-QUINAZOLIN-4-ONES AND ANALOGS FOR INHIBITING BET (BROMODOMAIN AND EXTRA TERMINAL DOMAIN) PROTEINS<br/>[FR] TRAITEMENT DE MALADIES PAR LA RÉGULATION ÉPIGÉNÉTIQUE
  申请人：RVX THERAPEUTICS INC

  公开号：WO2013186612A1

  公开（公告）日：2013-12-19

  The present application is directed to the use of substituted 2-phenyl-3H-quinazolin-4-ones and analogs for inhibiting BET (bromodomain and extra terminal domain) proteins. The disclosed compounds can be used for the treatment of cancers that exhibit c-myc overexpression, cancers that overexpress n-myc, and cancers that rely on the recruitment of p-TEFb to regulate activated oncogenes, such as Burkitt's lymphoma, acute myelogenous leukemia, multiple myeloma, aggressive human medulloblastoma, hematological, epithelial cancers, lung cancers, breast cancers, colon carcinomas, midline carcinomas, mesenchymal tumors, hepatic tumors, renal tumors and neurological tumors.
• TREATMENT OF DISEASES BY EPIGENETIC REGULATION
  申请人：McLure Kevin G.

  公开号：US20130281398A1

  公开（公告）日：2013-10-24

  The present disclosure provides non-naturally occurring polyphenol compounds that inhibit the bromodomain and extra terminal domain (BET) proteins. The disclosed compositions and methods can be used for treatment and prevention of diseases or disorders that are susceptible to administration of a BET inhibitor.

  本公开提供了抑制溴结构域和额外末端结构域（BET）蛋白的非天然存在的多酚化合物。所公开的组合物和方法可用于治疗和预防对BET抑制剂易感的疾病或疾病。