7-bromo-1-methyl-1H-quinazoline-2,4-dione | 1422209-78-6

• 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: 7-bromo-1-methyl-1H-quinazoline-2,4-dione
• 英文别名: 7-Bromo-1-methyl-quinazoline-2,4-dione；7-bromo-1-methylquinazoline-2,4-dione
• CAS: 1422209-78-6
• 化学式: C₉H₇BrN₂O₂
• 分子量: 255.071
• InChiKey: UMHHDXUCBLSXFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  49.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  7-bromo-1-methyl-1H-quinazoline-2,4-dione 在 dichloro[1,1'-bis(di-t-butylphosphino)ferrocene]palladium(II) 、 caesium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 0.66h， 生成 3-((5-(5-(difluoromethyl)-1,3,4-oxadiazole-2-yl)pyridine-2-yl)methyl)-7-(2-fluorophenyl)-1-methylquinazoline-2,4(1H,3H)-dione
  参考文献：
  名称：

  [EN] 1,3,4-OXADIAZOLE HOMOPHTHALIMIDE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME
  [FR] COMPOSÉS DÉRIVÉS DE 1,3,4-OXADIAZOLE HOMOPHTALIMIDE UTILISÉS COMME INHIBITEUR DE L'HISTONE DÉSACÉTYLASE 6, ET COMPOSITION PHARMACEUTIQUE LES COMPRENANT

  摘要：

  本发明涉及具有组蛋白去乙酰化酶6（HDAC6）抑制活性的新化合物，其立体异构体或其药学上可接受的盐，其药用用途以及其制备方法。根据本发明的新化合物，其立体异构体或其药学上可接受的盐具有组蛋白去乙酰化酶6（HDAC6）抑制活性，并且在预防或治疗与HDAC6相关的疾病方面具有有效性，包括传染病；肿瘤；内分泌病；营养和代谢疾病；精神和行为障碍；神经系统疾病；眼部和眼附器疾病；循环系统疾病；呼吸系统疾病；消化系统疾病；皮肤和皮下组织疾病；肌肉骨骼系统和结缔组织疾病；以及畸形或变形，或染色体异常。

  公开号：

  WO2020240493A1
• 作为产物：
  描述：

  4-溴-2-氟苯甲酸 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 反应 8.5h， 生成 7-bromo-1-methyl-1H-quinazoline-2,4-dione
  参考文献：
  名称：

  BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF

  摘要：

  公开号：

  EP3453707B1

文献信息

• QUINAZOLINE-2,4-DIONE DERIVATIVES
  申请人：Hubschwerlen Christian

  公开号：US20140171425A1

  公开（公告）日：2014-06-19

  The invention relates to antibacterial compounds of formula (I), wherein R 1 is H, halogen, (C 1 -C 3 )alkyl or (C 1 -C 3 )alkoxy; R 2 is H, halogen, (C 1 -C 3 )alkyl, (C 1 -C 3 )alkoxy or pyrrolidin-1-yl; R 3 is H, halogen, (C 1 -C 3 )alkyl, (C 1 -C 3 )alkoxy, vinyl or 2-methoxycarbonyvinyl or R 2 and R 3 together with the two carbon atoms which bear them form a phenyl ring; R 4 is H, halogen, (C 1 -C 3 )alkyl or (C 1 -C 3 )alkoxy; and R 5 is H, (C 1 -C 3 )alkyl or cyclopropyl, or R 4 and R 5 form together a —CH 2 CH 2 CH 2 — group; A is the divalent group —CH 2 —, —CH 2 CH 2 —, #—CH(OH)CH 2 —*, #—CH 2 N(R 6 )—* and —CH 2 NHCH 2 —, wherein # indicates the point of attachment to the optionally substituted (quinazoline-2,4-dione-3-yl)methyl residue and * represents the point of attachment to the substituted (oxazolidinon-4-yl)methyl residue; R 6 is H or acetyl; Y is CH or N; and Q is O or S; and salts of such compounds.

  该发明涉及式(I)的抗菌化合物，其中R1为H、卤素、(C1-C3)烷基或(C1-C3)氧烷；R2为H、卤素、(C1-C3)烷基、(C1-C3)氧烷或吡咯烷-1-基；R3为H、卤素、(C1-C3)烷基、(C1-C3)氧烷、乙烯基或2-甲氧羰基乙烯基，或R2和R3与携带它们的两个碳原子一起形成苯环；R4为H、卤素、(C1-C3)烷基或(C1-C3)氧烷；R5为H、(C1-C3)烷基或环丙基，或R4和R5一起形成一个—CH2CH2CH2—基团；A为二价基团—CH2—、—CH2CH2—、#—CH(OH)CH2—*、#—CH2N(R6)—*和—CH2NHCH2—，其中#表示可选择取代的(喹唑啉-2,4-二酮-3-基)甲基残基的连接点，*表示取代的(噁唑烷酮-4-基)甲基残基的连接点；R6为H或乙酰基；Y为CH或N；Q为O或S；以及这类化合物的盐。
• [EN] QUINAZOLINE-2,4-DIONE DERIVATIVES<br/>[FR] DÉRIVÉS DE QUINAZOLINE-2,4-DIONE
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2013021363A1

  公开（公告）日：2013-02-14

  The invention relates to antibacterial compounds of formula (I), wherein R1 is H, halogen, (C1-C3)alkyl or (C1-C3)alkoxy; R2 is H, halogen, (C1-C3)alkyl, (C1-C3)alkoxy or pyrrolidin-l-yl; R3 is H, halogen, (C1-C3)alkyl, (C1-C3)alkoxy, vinyl or 2-methoxycarbonylvinyl or R2 and R3 together with the two carbon atoms which bear them form a phenyl ring; R4 is H, halogen, (C1-C3)alkyl or (C1-C3)alkoxy and R5 is H, (C1-C3)alkyl or cyclopropyl, or R4 and R5 form together a -CH2CH2CH2- group; A is the divalent group -CH2-, -CH2CH2-, #-CH(OH)CH2-*, #-CH2N(R6)-* or -CH2NHCH2-, wherein # indicates the point of attachment to the optionally substituted (quinazoline-2,4-dione-3-yl)methyl residue and * represents the point of attachment to the substituted (oxazolidinon-4-yl)methyl residue; R6 is H or acetyl; Y is CH or N; and Q is O or S; and salts of such compounds.

  该发明涉及式(I)的抗菌化合物，其中R1为H、卤素、(C1-C3)烷基或(C1-C3)氧烷基；R2为H、卤素、(C1-C3)烷基、(C1-C3)氧烷基或吡咯烷-1-基；R3为H、卤素、(C1-C3)烷基、(C1-C3)氧烷基、乙烯基或2-甲氧羰基乙烯基，或者R2和R3与它们所连接的两个碳原子一起形成苯环；R4为H、卤素、(C1-C3)烷基或(C1-C3)氧烷基，R5为H、(C1-C3)烷基或环丙基，或者R4和R5一起形成一个-CH2CH2CH2-基团；A为二价基团-CH2-、-CH2CH2-、#-CH(OH)CH2-*、#-CH2N(R6)-*或-CH2NHCH2-，其中#表示可选择取代的(喹唑啉-2,4-二酮-3-基)甲基残基的连接点，*表示取代的(噁唑烷酮-4-基)甲基残基的连接点；R6为H或乙酰基；Y为CH或N；Q为O或S；以及这类化合物的盐。
• Benzazepine derivative, preparation method, pharmaceutical composition and use thereof
  申请人：SHANGHAI DE NOVO PHARMATECH CO., LTD.

  公开号：US10669252B2

  公开（公告）日：2020-06-02

  Disclosed are a benzazepine derivative, a preparation method, a pharmaceutical composition and the use thereof. A compound as shown in formula (I) of the present invention, and an isomer, a prodrug, a stable isotope derivative or a pharmaceutically acceptable salt thereof have the following structure. The benzazepine derivative of the present invention has a good regulation effect on the TLR family and the related signaling pathway, and in particular, has a good regulation effect on TLR8, can effectively treat, relieve and/or prevent various diseases mediated by TLR family and the TLR-related signaling pathway, and in particular, can effectively treat, relieve and/or prevent various diseases mediated by TLR8, such as cancers, autoimmune diseases, infections, inflammations, transplantation rejections, graft-versus-host diseases, etc.

  本发明公开了一种苯扎西平衍生物、一种制备方法、一种药物组合物及其用途。本发明的式(I)所示化合物及其异构体、原药、稳定同位素衍生物或药学上可接受的盐具有如下结构。本发明的苯并氮杂卓衍生物对TLR家族及相关信号通路具有良好的调节作用，特别是对TLR8具有良好的调节作用，能有效治疗、缓解和/或预防由TLR家族及TLR相关信号通路介导的各种疾病，特别是能有效治疗、缓解和/或预防由TLR8介导的各种疾病，如癌症、自身免疫性疾病、感染、炎症、移植排斥、移植物抗宿主疾病等。
• US8916573B2
  申请人：——

  公开号：US8916573B2

  公开（公告）日：2014-12-23
• [EN] 1,3,4-OXADIAZOLE HOMOPHTHALIMIDE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME<br/>[FR] COMPOSÉS DÉRIVÉS DE 1,3,4-OXADIAZOLE HOMOPHTALIMIDE UTILISÉS COMME INHIBITEUR DE L'HISTONE DÉSACÉTYLASE 6, ET COMPOSITION PHARMACEUTIQUE LES COMPRENANT
  申请人：CHONG KUN DANG PHARMACEUTICAL CORP

  公开号：WO2020240493A1

  公开（公告）日：2020-12-03

  The present invention relates to novel compounds having a histone deacetylase 6 (HDAC6) inhibitory activity, stereoisomers thereof or pharmaceutically acceptable salts thereof, a medicinal use thereof, and a method for preparing the same. The novel compounds according to the present invention, stereoisomers thereof or pharmaceutically acceptable salts thereof have the histone deacetylase 6 (HDAC6) inhibitory activity, and are effective in preventing or treating HDAC6-related diseases, comprising infectious diseases; neoplasm; endocrinopathy; nutritional and metabolic diseases; mental and behavioral disorders; neurological diseases; eye and ocular adnexal diseases; circulatory diseases; respiratory diseases; digestive diseases; skin and subcutaneous tissue diseases; musculoskeletal system and connective tissue diseases; and teratosis or deformities, or chromosomal aberration.

  本发明涉及具有组蛋白去乙酰化酶6（HDAC6）抑制活性的新化合物，其立体异构体或其药学上可接受的盐，其药用用途以及其制备方法。根据本发明的新化合物，其立体异构体或其药学上可接受的盐具有组蛋白去乙酰化酶6（HDAC6）抑制活性，并且在预防或治疗与HDAC6相关的疾病方面具有有效性，包括传染病；肿瘤；内分泌病；营养和代谢疾病；精神和行为障碍；神经系统疾病；眼部和眼附器疾病；循环系统疾病；呼吸系统疾病；消化系统疾病；皮肤和皮下组织疾病；肌肉骨骼系统和结缔组织疾病；以及畸形或变形，或染色体异常。