3-bromo-1,5-dimethyl-1,2-dihydropyridin-2-one | 1809161-41-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-bromo-1,5-dimethyl-1,2-dihydropyridin-2-one
• 英文别名: 3-bromo-1,5-dimethylpyridin-2-one；3-Bromo-1,5-dimethyl-1H-pyridin-2-one；3-Bromo-1,5-dimethylpyridin-2(1H)-one
• CAS: 1809161-41-8
• 化学式: C₇H₈BrNO
• 分子量: 202.051
• InChiKey: MQPKNOVIIQDNIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-bromo-1,5-dimethyl-1,2-dihydropyridin-2-one 在 lithium chloro-isopropyl-magnesium chloride 、 potassium carbonate 、 溶剂黄146 、 potassium iodide 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 23.17h， 生成 2-[5-methyl-3-(1-nitro-3-{[(cis)-4-(3-fluorophenyl)cyclohexyl]oxy}propan-2-yl)-2-oxo-1 ,2-dihydropyridin-1-yl] acetonitrile
  参考文献：
  名称：

  [EN] SULFONAMIDE OREXIN RECEPTOR AGONISTS AND USES THEREOF
  [FR] AGONISTES DU RÉCEPTEUR DE L'OREXINE À BASE DE SULFONAMIDE ET LEURS UTILISATIONS

  摘要：

  Provided herein are compounds of Formula (I), or pharmaceutically acceptable salt thereof, wherein R1, R2, R3, R4, A, L1, L2, Y and Z are defined herein. Also provided herein are pharmaceutical compositions comprising a compound of Formula (I) or pharmaceutically acceptable salt thereof, and methods of using a compound of Formula (I) or pharmaceutically acceptable salt thereof, e.g., in the treatment of a disease or disorder that is treatable by administration of an Orexin agonist.

  公开号：

  WO2022269049A1
• 作为产物：
  描述：

  Trifluoro-methanesulfonate3-bromo-2-chloro-1,5-dimethyl-pyridinium; 在 水 作用下， 生成 3-bromo-1,5-dimethyl-1,2-dihydropyridin-2-one
  参考文献：
  名称：

  Vinylogous carbinolamine tumor inhibitors. 24. Synthesis, chemistry, and antineoplastic activity of .alpha.-halopyridinium salts: potential pyridone prodrugs of acylated vinylogous carbinolamine tumor inhibitors.

  摘要：

  A series of 4- and 5-[2,3-dihydro-6,7-bis[[(N-alkylcarbamoyl)oxy]methyl]-1H-pyrrol izin-5- yl]-2-halopyridinium iodides were synthesized. The rates of hydrolysis of the alpha-halopyridinium salts to the corresponding pyridones, and the reactivities of the carbamate moieties were studied as a function of pH, buffer composition, and ionic strength. The 4- and 5-pyrrolizinyl-2-halopyridinium iodides and the corresponding pyridones were evaluated against P388 lymphocytic leukemia in vivo. The alpha-fluoropyridinium compounds were active but the alpha-chloro compounds were not. This activity was correlated with the rates of hydrolysis of the alpha-halopyridinium compounds to the active pyridone. Compounds that were active in the P388 screen were evaluated in L1210 leukemia, M5076 carcinoma, and MX-1 mammary xenograft assays in mice.

  DOI：

  10.1021/jm00168a021

文献信息

• HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS
  申请人：Genentech, Inc.

  公开号：US20160228432A1

  公开（公告）日：2016-08-11

  Heteroaryl pyridone and aza-pyridone compounds are provided, including stereoisomers, tautomers, and pharmaceutically acceptable salts thereof, useful for inhibiting Btk kinase, and for treating immune disorders such as inflammation mediated by Btk kinase. Methods of using heteroaryl pyridone and aza-pyridone compounds for in vitro, in situ, and in vivo diagnosis, and treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  本发明提供了杂环芳基吡啶酮和氮杂芳基吡啶酮化合物，包括立体异构体、互变异构体和其药学上可接受的盐，用于抑制Btk激酶，并用于治疗由Btk激酶介导的免疫紊乱，如炎症。本发明揭示了使用杂环芳基吡啶酮和氮杂芳基吡啶酮化合物进行体外、体内和原位诊断和治疗哺乳动物细胞中的这种紊乱或相关病理条件的方法。
• [EN] HIGH-ACTIVITY HPK1 KINASE INHIBITOR<br/>[FR] INHIBITEUR DE LA KINASE HPK1 À HAUTE ACTIVITÉ<br/>[ZH] 一种高活性的HPK1激酶抑制剂
  申请人：ADLAI NORTYE BIOPHARMA CO LTD

  公开号：WO2022214009A1

  公开（公告）日：2022-10-13

  提供了一种式(I)结构的具有抑制HPK1激酶活性的化合物以及包含所述化合物的药物组合物。还提供了所述化合物在预防和/或治疗癌症、肿瘤、炎症性疾病、自身免疫性疾病或免疫介导性疾病中的用途。
• 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2773632B1

  公开（公告）日：2017-04-12
• Vinylogous carbinolamine tumor inhibitors. 24. Synthesis, chemistry, and antineoplastic activity of .alpha.-halopyridinium salts: potential pyridone prodrugs of acylated vinylogous carbinolamine tumor inhibitors.
  作者：Wayne K. Anderson、Dennis C. Dean、Toshiyasu Endo

  DOI：10.1021/jm00168a021

  日期：1990.6

  A series of 4- and 5-[2,3-dihydro-6,7-bis[[(N-alkylcarbamoyl)oxy]methyl]-1H-pyrrol izin-5- yl]-2-halopyridinium iodides were synthesized. The rates of hydrolysis of the alpha-halopyridinium salts to the corresponding pyridones, and the reactivities of the carbamate moieties were studied as a function of pH, buffer composition, and ionic strength. The 4- and 5-pyrrolizinyl-2-halopyridinium iodides and the corresponding pyridones were evaluated against P388 lymphocytic leukemia in vivo. The alpha-fluoropyridinium compounds were active but the alpha-chloro compounds were not. This activity was correlated with the rates of hydrolysis of the alpha-halopyridinium compounds to the active pyridone. Compounds that were active in the P388 screen were evaluated in L1210 leukemia, M5076 carcinoma, and MX-1 mammary xenograft assays in mice.
• WO2022269049A1
  申请人：——

  公开号：WO2022269049A1

  公开（公告）日：2022-12-29