1-(propan-2-yl)-1,4-dihydroquinolin-4-one | 1399859-05-2

• 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: 1-(propan-2-yl)-1,4-dihydroquinolin-4-one
• 英文别名: 1-isopropylquinolin-4(1H)-one；1-propan-2-ylquinolin-4-one
• CAS: 1399859-05-2
• 化学式: C₁₂H₁₃NO
• 分子量: 187.241
• InChiKey: HYUCPYYWOZBUSF-UHFFFAOYSA-N

物化性质

• 沸点：
  280.9±40.0 °C(Predicted)
• 密度：
  1.106±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  乌洛托品 、 1-(propan-2-yl)-1,4-dihydroquinolin-4-one 在 三氟乙酸 作用下， 以57%的产率得到4-oxo-1-(propan-2-yl)-1,4-dihydroquinoline-3-carbaldehyde
  参考文献：
  名称：

  [EN] FUNCTIONALIZED HETEROCYCLIC COMPOUNDS AS MODULATORS OF STIMULATOR OF INTERFERON GENES (STING)
  [FR] COMPOSÉS HÉTÉROCYCLIQUES FONCTIONNALISÉS UTILISÉS EN TANT QUE MODULATEURS DU STIMULATEUR DES GÈNES DE L'INTERFÉRON (STING)

  摘要：

  这项发明涉及化合物-连接物构造和化合物的抗体药物偶联物，其化学式为(I)，可用作STING（干扰素基因刺激剂）调节剂。

  公开号：

  WO2021116446A1
• 作为产物：
  描述：

  4-羟基喹啉 、 alkaline earth salt of/the/ methylsulfuric acid 在 potassium hydroxide 作用下， 以 甲醇 为溶剂， 反应 16.0h， 生成 1-(propan-2-yl)-1,4-dihydroquinolin-4-one
  参考文献：
  名称：

  Iodine/persulfate-promoted site-selective direct thiolation of quinolones and uracils

  摘要：

  A simple and general method for direct thiolation of 4-quinolones with disulfides or thiols under I-2/K2S2O8 system has been developed. Under the optimal conditions, the C-S bond coupling can take place effectively with good to decent yields and excellent regioselectivity of the S-linked products. The established metal-free site-selective approach was also applicable to transform a range of uracil substrates to the thio-substituted products under mild conditions. Further transformation to the sulfone derivatives can be conveniently performed in one-pot. These easy-to-handle protocols represent a useful and interesting synthetic alternative with good substrate scope and functional group compatibility. (C) 2019 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2019.130537

文献信息

• [EN] HETEROCYCLIC COMPOUNDS AS MODULATORS OF STIMULATOR OF INTERFERON GENES (STING)<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES EN TANT QUE MODULATEURS DU STIMULATEUR DES GÈNES DE L'INTERFÉRON (STING)
  申请人：RYVU THERAPEUTICS S A

  公开号：WO2021116451A1

  公开（公告）日：2021-06-17

  The present invention relates to compounds of formula (I) and salts, stereoisomers, tautomers or N-oxides thereof that are useful as modulators of STING (Stimulator of Interferon Genes). The present invention further relates to the compounds of formula (I) for use as a medicament and to a pharmaceutical composition comprising said compounds.

  本发明涉及公式（I）的化合物及其盐、立体异构体、互变异构体或N-氧化物，这些化合物可用作STING（干扰素基因刺激剂）的调节剂。本发明还涉及公式（I）的化合物用作药物以及包含该类化合物的药物组合物。
• [EN] COMPOUNDS AND THEIR USE FOR THE TREATMENT OF α1-ANTITRYPSIN DEFICIENCY<br/>[FR] COMPOSÉS ET LEUR UTILISATION POUR LE TRAITEMENT DU DÉFICIT EN ALPHA1-ANTITRYPSINE
  申请人：Z FACTOR LTD

  公开号：WO2022263829A1

  公开（公告）日：2022-12-22

  The invention relates to compounds or salts of Formula (I-a), Formula (I-b), Formula (I-c), Formula (I-d), Formula (II) and pharmaceutical compositions containing these compounds. The compounds may be inducers of α1-antitrypsin (A1AT), and may be used in the treatment of a disease or disorder such as α1-antitrypsin deficiency (A1AD or AATD).

  该发明涉及公式（I-a）、公式（I-b）、公式（I-c）、公式（I-d）、公式（II）的化合物或盐以及含有这些化合物的药物组合物。这些化合物可能是α1-抗胰蛋白酶（A1AT）的诱导剂，并可用于治疗α1-抗胰蛋白酶缺乏症（A1AD或AATD）等疾病或疾病。
• Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof
  申请人：INVENTISBIO SHANGHAI LTD.

  公开号：US11203589B2

  公开（公告）日：2021-12-21

  The present invention disclosed a class of pyrimidine compounds, pharmaceutically acceptable salts, stereoisomers, prodrugs and solvates thereof, preparation method therefor and pharmaceutical compositions and pharmaceutical uses thereof. See e.g., Formula I below. The compounds can inhibit the variants of EGFR (Epidermis Growth Factor Receptor), and the growth of a variety of tumor cells effectively and can be used for the treatment, combined therapy or prevention of various different cancers, particularly for treating or preventing diseases, disturbances, disorders or conditions mediated by epidermis growth factor receptor variants (such as L858R activated mutants, Exon19 deletion activated mutants and T790M resistant mutants).

  本发明公开了一类嘧啶化合物、其药学上可接受的盐、立体异构体、原药和溶媒、其制备方法和药物组合物及其药物用途。见下文式 I 等。本发明化合物可有效抑制表皮生长因子受体（EGFR）的变体，抑制多种肿瘤细胞的生长，可用于各种不同癌症的治疗、联合治疗或预防，特别是用于治疗或预防由表皮生长因子受体变体（如L858R激活突变体、Exon19缺失激活突变体和T790M耐药突变体）介导的疾病、紊乱、失调或病症。
• Synthesis of 4-Quinolones through Nickel-Catalyzed Intramolecular Amination on the β-Carbon of o-(N-Alkylamino)propiophenones
  作者：Satoshi Ueno、Ryoichi Kuwano、Ryosuke Shimizu、Ryohei Maeda

  DOI：10.1055/s-0031-1291146

  日期：2012.7

  o-(N-Alkylamino)propiophenones are converted into 4-quinolones in the presence of chlorobenzene, potassium phosphate, morpholine, and nickel(0) catalyst. The reaction proceeds through the nickel-catalyzed formation of beta-enaminones from o-(N-alkylamino)propiophenones and morpholine, followed by the intramolecular transamination.
• US20140256706A1
  申请人：——

  公开号：US20140256706A1

  公开（公告）日：2014-09-11