2-(4-(2-(isopropylamino)ethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one | 1253733-17-3

• 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-(4-(2-(isopropylamino)ethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one
• 英文别名: 2-(3,5-dimethyl-4-{2-[(propan-2-yl)amino]ethoxy}phenyl)-5,7-dimethoxy-3,4-dihydroquinazolin-4-one；2-[3,5-dimethyl-4-[2-(propan-2-ylamino)ethoxy]phenyl]-5,7-dimethoxy-3H-quinazolin-4-one
• CAS: 1253733-17-3
• 化学式: C₂₃H₂₉N₃O₄
• 分子量: 411.501
• InChiKey: ZXCSEHMIVFVIHL-UHFFFAOYSA-N

物化性质

• 沸点：
  592.0±60.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  81.2
• 氢给体数：
  2
• 氢受体数：
  6

制备方法与用途

RVX2135是一种新型、有效的口服生物可利用的Brd2、Brd3、Brd4和BrdT抑制剂，其IC50分别为1.31、0.58、0.44和1.58 μM；能够阻断Myc诱导的小鼠淋巴瘤细胞增殖，并诱导半胱天冬酶依赖性细胞凋亡；在影响众多转录因子网络的Myc转基因淋巴瘤细胞中表现出广泛的转录效应。

反应信息

• 作为产物：
  描述：

  2-(4-(2-aminoethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one 、 丙酮 在 platinum(IV) oxide 、 氢气 作用下， 以 乙醇 为溶剂， 反应 48.0h， 以70%的产率得到2-(4-(2-(isopropylamino)ethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-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。
• Compositions and therapeutic methods for the treatment of complement-associated diseases
  申请人：Resverlogix Corp.

  公开号：US10111885B2

  公开（公告）日：2018-10-30

  The invention comprises methods of modulating the complement cascade in a mammal and for treating and/or preventing diseases and disorders associated with the complement pathway by administering a compound of Formula I or Formula II, such as, for example, 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one or a pharmaceutically acceptable salt thereof.

  本发明包括通过施用式 I 或式 II 的化合物，例如 2-(4-(2-羟基乙氧基)-3,5-二甲基苯基)-5,7-二甲氧基喹唑啉-4(3H)-酮或其药学上可接受的盐，调节哺乳动物体内的补体级联，治疗和/或预防与补体途径相关的疾病和失调的方法。
• Tricyclic fused pyridin-2-one derivatives and their use as BRD4 inhibitors
  申请人：JUBILANT BIOSYS LIMITED

  公开号：US10689395B2

  公开（公告）日：2020-06-23

  The present disclosure describes heterocyclic compounds of Formula I or, its stereoisomers, pharmaceutically acceptable salts, complexes, hydrates, solvates, tautomers, polymorphs, racemic mixtures, optically active forms and pharmaceutically active derivatives thereof and pharmaceutical compositions containing them as the active ingredient. The present disclosure also describes the synthesis and characterization of aforementioned compounds to exhibit high anticancer activity. The compounds of the present disclosure are useful as medicaments and their use in the manufacture of medicaments for treatment, prevention, or suppression of diseases, and conditions mediated by one or more BET family of bromodomains.

  本公开介绍了式 I 的杂环化合物或其立体异构体、药学上可接受的盐、络合物、水合物、溶 液物、同系物、多晶型物、外消旋混合物、光学活性形式及其药学活性衍生物，以及含有它们作 为活性成分的药物组合物。本公开内容还描述了上述化合物的合成和表征，这些化合物具有很高的抗癌活性。本公开的化合物可用作药物，并可用于制造治疗、预防或抑制由一种或多种 BET 家族溴化基因介导的疾病和病症的药物。
• Tricyclic fused derivatives of 1-(cyclo)alkyl pyridin-2-one useful for the treatment of cancer
  申请人：JUBILANT BIOSYS LIMITED

  公开号：US10689390B2

  公开（公告）日：2020-06-23

  The present disclosure described heterocyclic compounds of Formula I or, its stereoisomers, pharmaceutically acceptable salts, complexes, hydrates, solvates, tautomers, polymorphs, racemic mixtures, optically active forms and pharmaceutically active derivative thereof and pharmaceutical compositions containing them as the active ingredient. The present disclosure also describes the synthesis and characterization of aforementioned compounds to exhibit high anticancer activity. The compounds of the present disclosure are useful as medicaments and their use in the manufacture of medicaments for treatment, prevention or suppression of diseases, and conditions mediated by one or more BET family of bromodomains.

  本公开描述了式 I 的杂环化合物或其立体异构体、药学上可接受的盐、络合物、水合物、溶 液物、同系物、多晶型物、外消旋混合物、光学活性形式及其药学活性衍生物，以及含有它们作 为活性成分的药物组合物。本公开还介绍了上述化合物的合成和表征方法，这些化合物具有很高的抗癌活性。本公开的化合物可用作药物，并可用于制造治疗、预防或抑制由一种或多种 BET 家族溴化多聚酶介导的疾病和病症的药物。