7-bromo-4,4,6-trimethyl-3,4-dihydro-1H-quinolin-2-one | 459811-02-0

• 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: 7-bromo-4,4,6-trimethyl-3,4-dihydro-1H-quinolin-2-one
• 英文别名: 7-bromo-4,4,6-trimethyl-3,4-dihydro-1H-quinoline-2-one；7-Bromo-4,4,6-trimethyl-3,4-dihydroquinolin-2(1H)-one；7-bromo-4,4,6-trimethyl-1,3-dihydroquinolin-2-one
• CAS: 459811-02-0
• 化学式: C₁₂H₁₄BrNO
• 分子量: 268.153
• InChiKey: PJAKAPWOIDACRK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  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 3-(1,4,4,6-tetramethyl-2-oxo-1,2,3,4-tetrahydro-quinolin-7-yl)-4-trifluoromethoxy-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
• 作为产物：
  描述：

  3-methyl-but-2-enoic acid (3-bromo-4-methyl-phenyl)-amide 在 三氯化铝 作用下， 以 (2S)-N-methyl-1-phenylpropan-2-amine hydrate 为溶剂， 生成 7-bromo-4,4,6-trimethyl-3,4-dihydro-1H-quinolin-2-one
  参考文献：
  名称：

  Oxime derivatives for the treatment of dyslipidemia and hypercholesteremia

  摘要：

  本发明涉及Formula (I)的化合物，可能在治疗疾病，如代谢紊乱、血脂异常和/或高胆固醇血症方面有用：

  公开号：

  US20030083357A1

文献信息

• Oxime derivatives for the treatment of dyslipidemia and hypercholesteremia
  申请人：——

  公开号：US20030083357A1

  公开（公告）日：2003-05-01

  The present invention relates to compounds of Formula (I) which may be useful in the treatment of diseases, such as, metabolic disorders, dyslipidemia and/or hyperchloesterolemia: 1

  本发明涉及Formula (I)的化合物，可能在治疗疾病，如代谢紊乱、血脂异常和/或高胆固醇血症方面有用：
• DIHYDRO-[1H]-QUINOLIN-2-ONE DERIVATIVES AS RXR AGONISTS FOR THE TREATMENT OF DYSLIPIDEMIA, HYPERCHOLESTEROLEMIA AND DIABETES
  申请人：Lagu Bharat

  公开号：US20070078160A1

  公开（公告）日：2007-04-05

  The present invention relates to compounds of Formula (I), methods for preparing these compounds, compositions, intermediates and derivatives thereof and for treating RXR mediated disorders. More particularly, the compounds of the present invention are RXR agonists useful for treating RXR mediated disorders.

  本发明涉及式（I）的化合物，制备这些化合物的方法，组合物，中间体和衍生物，以及治疗RXR介导的疾病。更具体地说，本发明的化合物是RXR激动剂，可用于治疗RXR介导的疾病。
• RXR activating molecules
  申请人：——

  公开号：US20030105333A1

  公开（公告）日：2003-06-05

  Disclosed are molecules that activate an RXR receptor, wherein the molecule comprises an RXR binding portion which binds the RXR receptor and comprises a side pocket contacting residue which contacts a side-pocket 1 of an RXR receptor.

  本发明涉及可以激活RXR受体的分子，其中所述分子包括与RXR受体结合的RXR结合部分，包括与RXR受体的侧袋1接触的侧袋接触残基。
• 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。
• BICYCLIC HETEROCYCLIC DERIVATIVE
  申请人：Nakahira Hiroyuki

  公开号：US20110190278A1

  公开（公告）日：2011-08-04

  The present invention relates to a compound of the following formula (I) or a pharmaceutically acceptable salt thereof, being useful as a renin inhibitor. [wherein R 1a is halogen, etc.; R 1m is H, etc.; G 1 is —N(R 1b )—, etc.; G 2 is —CO—, etc.; G 3 is —C(R 1c )(R 1d )—, etc.; G 4 is oxygen, etc.; R 1b is optionally substituted C 1-6 alkyl, etc.; R 1c and R 1d are independently the same or different, H, etc.; R 3 is H, optionally substituted C 1-6 alkyl, etc.; R 3a , R 3b , R 3 c and R 3d are independently the same or different, and a group: -A-B (said A is single bond, etc., and said B is H, etc.), etc.; and n is 1, etc.]

  本发明涉及以下式（I）的化合物或其药学上可接受的盐，其可用作肾素抑制剂。[其中，R1a是卤素等；R1m是H等；G1是—N（R1b）—等；G2是—CO—等；G3是—C（R1c）（R1d）—等；G4是氧等；R1b是可选取代的C1-6烷基等；R1c和R1d独立选择为H等；R3是H、可选取代的C1-6烷基等；R3a、R3b、R3c和R3d独立选择为相同或不同的基团：-A-B（其中A是单键等，B是H等）等；n为1等。]