4-(trifluoromethoxy)-3-(4,4,6-trimethyl-2-oxo-1-propan-2-yl-3H-quinolin-7-yl)benzaldehyde | 945042-03-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 4-(trifluoromethoxy)-3-(4,4,6-trimethyl-2-oxo-1-propan-2-yl-3H-quinolin-7-yl)benzaldehyde
• CAS: 945042-03-5
• 化学式: C₂₃H₂₄F₃NO₃
• 分子量: 419.444
• InChiKey: UMPFFBBYTXNZEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-(trifluoromethoxy)-3-(4,4,6-trimethyl-2-oxo-1-propan-2-yl-3H-quinolin-7-yl)benzaldehyde 在 N,N-二甲基丙烯基脲 、 正丁基锂 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 8.0h， 生成 3-[3-(1-Isopropyl-4,4,6-trimethyl-2-oxo-1,2,3,4-tetrahydro-quinolin-7-yl)4-trifluoromethoxy-phenyl]-acrylic acid
  参考文献：
  名称：

  RXR–LXR heterodimer modulators for the potential treatment of dyslipidemia

  摘要：

  A number of RXR agonists were synthesized and screened in functional assays. The synthesis and tile structure-activity relationship (SAR) within the series of compounds will be presented. Some in vivo data in rodent models for dyslipidemia and diabetes will also be presented. (c) 2007 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2007.01.047
• 作为产物：
  描述：

  7-bromo-4,4,6-trimethyl-3,4-dihydro-1H-quinolin-2-one 在 四(三苯基膦)钯 氢氧化钾 、 potassium carbonate 作用下， 以 乙醇 、 二甲基亚砜 、 甲苯 为溶剂， 反应 12.0h， 生成 4-(trifluoromethoxy)-3-(4,4,6-trimethyl-2-oxo-1-propan-2-yl-3H-quinolin-7-yl)benzaldehyde
  参考文献：
  名称：

  RXR–LXR heterodimer modulators for the potential treatment of dyslipidemia

  摘要：

  A number of RXR agonists were synthesized and screened in functional assays. The synthesis and tile structure-activity relationship (SAR) within the series of compounds will be presented. Some in vivo data in rodent models for dyslipidemia and diabetes will also be presented. (c) 2007 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2007.01.047

文献信息

• Heterocyclic amide derivatives for the treatment of diabetes and other diseases
  申请人：——

  公开号：US20030216432A1

  公开（公告）日：2003-11-20

  The present invention relates to certain substituted heterocycles of Formula (200), 1 wherein B, H, I, J and K together with the Ar 5 form a ring containing at least one amide residue, and W, X, Y and Z together form a 2,4-thiazolidinedione, 2-thioxo-thiazolidine-4-one, 2,4-imidazolidinedione or 2-thioxo-imidazolidine-4-one residue; or a pharmaceutically acceptable salt thereof. The compounds are useful in the treatment of diseases such as type 2 diabetes, and related disorders of lipid and carbohydrate metabolism, including atherosclerosis. The compounds are also useful for treating diseases of uncontrolled proliferation, such as cancers in general, including breast cancer.

  本发明涉及公式（200）的某些取代杂环，其中B、H、I、J和K与Ar5一起形成一个环，其中至少含有一个酰胺残基，W、X、Y和Z共同形成2,4-噻唑烷二酮、2-硫代噻唑烷-4-酮、2,4-咪唑烷二酮或2-硫代咪唑烷-4-酮残基；或其药学上可接受的盐。该化合物在治疗2型糖尿病、与脂质和碳水化合物代谢有关的相关疾病，包括动脉粥样硬化方面具有用处。该化合物也可用于治疗未受控制的增殖性疾病，如一般的癌症，包括乳腺癌。
• EP1487443A4
  申请人：——

  公开号：EP1487443A4

  公开（公告）日：2006-04-12
• HETEROCYCLIC AMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES
  申请人：Incyte San Diego Incorporated

  公开号：EP1487443A1

  公开（公告）日：2004-12-22
• US7102000B2
  申请人：——

  公开号：US7102000B2

  公开（公告）日：2006-09-05
• [EN] HETEROCYCLIC AMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES<br/>[FR] DERIVES D'AMIDE HETEROCYCLIQUE DESTINES AU TRAITEMENT DU DIABETE ET D'AUTRES MALADIES
  申请人：INCYTE SAN DIEGO INC

  公开号：WO2003075924A1

  公开（公告）日：2003-09-18

  The present invention relates to certain substituted heterocycles of Formula (200), wherein B, H, I, J and K together with the Ar5 form a ring containing at least one amide residue, and W, X, Y and Z together form a 2,4-thiazolidinedione, 2-thioxothiazolidine-4-one, 2,4-imidazolidinedione or 2-thioxo-imidazolidine-4-one residue; or a pharmaceutically acceptable salt thereof. The compounds are useful in the treatment of diseases such as type 2 diabetes, and related disorders of lipid and carbohydrate metabolism, including atherosclerosis. The compounds are also useful for treating diseases of uncontrolled proliferation, such as cancers in general, including breast cancer.