3-Ethyl-2-phenylisoquinolin-1-one | 1351766-32-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 3-Ethyl-2-phenylisoquinolin-1-one
• CAS: 1351766-32-9
• 化学式: C₁₇H₁₅NO
• 分子量: 249.312
• InChiKey: ZHUWHTPELYFSFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  苯胺 在 双(乙腈)氯化钯(II) 、 氧气 、 三乙胺 、 copper dichloride 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 60.0 ℃ 、101.33 kPa 条件下， 反应 27.08h， 生成 3-Ethyl-2-phenylisoquinolin-1-one
  参考文献：
  名称：

  Regioselective Pd-Catalyzed Aerobic Aza-Wacker Cyclization for Preparation of Isoindolinones and Isoquinolin-1(2H)-ones

  摘要：

  A switchable regioselective intramolecular aerobic aza-Wacker cyclization catalyzed by palladium is presented. Isolndollnones or isoquinolin1(2H)-ones could be prepared selectively from the same substrates using different catalysts. The type and steric hindrance of the ligands may be the variables most significant for regiocontrol.

  DOI：

  10.1021/ol203043h

文献信息

• [EN] ISOTOPOLOGUES OF ISOQUINOLINONE AND QUINAZOLINONE COMPOUNDS AND USES THEREOF AS PI3K KINASE INHIBITORS<br/>[FR] ISOTOPOLOGUES DE COMPOSÉS ISOQUINOLINONE ET QUINAZOLINONE ET LEURS UTILISATIONS COMME INHIBITEURS DE LA KINASE PI3K
  申请人：INFINITY PHARMACEUTICALS INC

  公开号：WO2017161116A1

  公开（公告）日：2017-09-21

  Provided are isotopologues of isoquinolinone and quinazolinone compounds of formula (ΑΒ') that modulate PI3 kinase activity, processes for the preparation of the compounds, pharmaceutical compositions comprising the compounds, and methods of treatment of diseases and disorders using the compounds or pharmaceutical compositions.

  提供了调节PI3激酶活性的公式为(ΑΒ')的异喹啉酮和喹唑啉酮化合物的同位素同分异构体，以及制备这些化合物的方法，包括含有这些化合物的药物组合物，以及使用这些化合物或药物组合物治疗疾病和疾病的方法。
• HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT
  申请人：Korea Research Institute of Chemical Technology

  公开号：EP3312175A1

  公开（公告）日：2018-04-25

  The present invention relates to a heteroaryl derivative or a pharmaceutically acceptable salt thereof, a preparation method therefor, and a pharmaceutical composition for preventing or treating diseases associated with PI3 kinases, containing the same as an active ingredient. The heteroaryl derivative according to the present invention has an excellent effect of selectively inhibiting PI3 kinases, thereby being useful in preventing or treating PI3 kinase diseases such as: cancers such as hematologic malignancy, ovarian cancer, uterine cervical cancer, breast cancer, colorectal cancer, liver cancer, gastric cancer, pancreatic cancer, colon cancer, peritoneal metastatic cancer, skin cancer, bladder cancer, prostate cancer, lung cancer, osteosarcoma, fibrous tumors, and brain tumors; autoimmune diseases such as rheumatoid arthritis, systemic lupus erythematosis, multiple sclerosis, diabetes mellitus, hyperthyroidism, myasthenia, Crohn's disease, ankylosing spondylitis, autoimmune pernicious anemia, and Sjogren's syndrome; and respiratory diseases such as chronic obstructive pulmonary disease (COPD), rhinitis, asthma, chronic bronchitis, chronic pulmonary inflammatory diseases, silicosis, pulmonary sarcoidosis, pleurisy, alveolitis, angitis, pneumatosis, pneumonia, and bronchiectasis.

  本发明涉及一种杂芳基衍生物或其药学上可接受的盐、其制备方法以及一种用于预防或治疗与PI3激酶相关疾病的药物组合物，其中含有杂芳基衍生物或其药学上可接受的盐、其制备方法以及一种用于预防或治疗与PI3激酶相关疾病的药物组合物，其中含有杂芳基衍生物或其药学上可接受的盐作为活性成分。根据本发明的杂芳基衍生物具有很好的选择性抑制 PI3 激酶的效果，因此可用于预防或治疗 PI3 激酶疾病，如癌症，如血液系统恶性肿瘤、卵巢癌、子宫颈癌、乳腺癌、结直肠癌、肝癌、胃癌、胰腺癌、结肠癌、腹膜转移癌、皮肤癌、膀胱癌、前列腺癌、肺癌、骨肉瘤、纤维瘤和脑瘤；自身免疫性疾病，如类风湿性关节炎、系统性红斑狼疮、多发性硬化症、糖尿病、甲状腺机能亢进症、肌无力、克罗恩病、强直性脊柱炎、自身免疫性恶性贫血和 Sjogren 综合征；呼吸系统疾病，如慢性阻塞性肺病（COPD）、鼻炎、哮喘、慢性支气管炎、慢性肺部炎症、矽肺、肺肉瘤病、胸膜炎、肺泡炎、血管炎、肺气肿、肺炎和支气管扩张。
• TREATMENT OF CANCER USING A CD123 CHIMERIC ANTIGEN RECEPTOR
  申请人：Novartis AG

  公开号：EP3712171A1

  公开（公告）日：2020-09-23

  The invention provides compositions and methods for treating diseases associated with expression of CD123. The invention also relates to chimeric antigen receptor (CAR) specific to CD123, vectors encoding the same, and recombinant cells comprising the CD123 CAR. The invention also includes methods of administering a genetically modified cell expressing a CAR that comprises a CD123 binding domain.

  本发明提供了治疗与 CD123 表达相关疾病的组合物和方法。本发明还涉及 CD123 特异性嵌合抗原受体（CAR）、编码 CD123 特异性嵌合抗原受体的载体以及包含 CD123 CAR 的重组细胞。本发明还包括施用表达包含 CD123 结合域的 CAR 的转基因细胞的方法。
• COMBINATION THERAPIES COMPRISING ANTIBODY MOLECULES TO TIM-3
  申请人：Novartis AG

  公开号：EP3878465A1

  公开（公告）日：2021-09-15

  Combination therapies comprising antibody molecules that specifically bind to TIM-3 are disclosed. The combination therapies can be used to treat or prevent cancerous or infectious conditions and disorders.

  本研究公开了包含特异性结合 TIM-3 的抗体分子的组合疗法。这些组合疗法可用于治疗或预防癌症或感染性疾病。
• PI3K PROTEIN KINASE INHIBITORS, PARTICULARLY DELTA AND/OR GAMMA INHIBITORS
  申请人：Rhizen Pharmaceuticals S.A.

  公开号：EP3016955B1

  公开（公告）日：2018-03-07