52749-50-5 Usage
Description
8-HYDROXY-3,4-DIHYDRO-2-QUINOLINONE, also known as Aripiprazole Impurity 5, is an organic compound that has been identified as a metabolite of salvianolic acid B. It is a derivative of quinolinone, which is a heterocyclic compound with a fused six-membered aromatic ring and a ketone functional group. 8-HYDROXY-3,4-DIHYDRO-2-QUINOLINONE has attracted interest due to its potential applications in various fields.
Uses
Used in Pharmaceutical Research:
8-HYDROXY-3,4-DIHYDRO-2-QUINOLINONE is used as a research compound for studying the metabolic pathways and effects of salvianolic acid B, a bioactive component found in the traditional Chinese medicinal plant Salvia miltiorrhiza. Its role in the metabolism of salvianolic acid B aids in understanding the pharmacological properties and potential therapeutic applications of this natural product.
Used in Drug Development:
In the pharmaceutical industry, 8-HYDROXY-3,4-DIHYDRO-2-QUINOLINONE is used as an impurity reference substance for the development and quality control of Aripiprazole, an antipsychotic medication. As an impurity, it helps in the assessment of the purity and safety of the drug, ensuring that the final product meets the required standards for efficacy and safety.
Used in Chemical Synthesis:
8-HYDROXY-3,4-DIHYDRO-2-QUINOLINONE can be used as a synthetic intermediate or building block in the synthesis of various quinolines and related compounds. These synthesized compounds may have potential applications in the development of new drugs, agrochemicals, or other specialty chemicals.
Check Digit Verification of cas no
The CAS Registry Mumber 52749-50-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,2,7,4 and 9 respectively; the second part has 2 digits, 5 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 52749-50:
(7*5)+(6*2)+(5*7)+(4*4)+(3*9)+(2*5)+(1*0)=135
135 % 10 = 5
So 52749-50-5 is a valid CAS Registry Number.
InChI:InChI=1/C9H9NO2/c11-7-3-1-2-6-4-5-8(12)10-9(6)7/h1-3,11H,4-5H2,(H,10,12)
52749-50-5Relevant articles and documents
Multi-Functional Oxidase Activity of CYP102A1 (P450BM3) in the Oxidation of Quinolines and Tetrahydroquinolines
Li, Yushu,Wong, Luet L.
, p. 9551 - 9555 (2019/08/06)
Tetrahydroquinoline, quinoline, and dihydroquinolinone are common core motifs in drug molecules. Screening of a 48-variant library of the cytochrome P450 enzyme CYP102A1 (P450BM3), followed by targeted mutagenesis based on mutation-selectivity correlations from initial hits, has enabled the hydroxylation of substituted tetrahydroquinolines, quinolines, and 3,4-dihydro-2-quinolinones at most positions around the two rings in good to high yields at synthetically relevant scales (1.5 g L?1 day?1). Other oxidase activities, such as C?C bond desaturation, aromatization, and C?C bond formation, were also observed. The enzyme variants, with mutations at the key active site residues S72, A82, F87, I263, E267, A328, and A330, provide direct and sustainable routes to oxy-functionalized derivatives of these building block molecules for synthesis and drug discovery.
