6-BROMO-8-CYCLOPENTYL-5-METHYL-2-(METHYLSULFINYL)PYRIDO[2,3-D]PYR化学性质熔点:>160oC(dec.)沸点:542.8±60.0°C(Predicted)密度:1.66±0.1Chemicalbookg/cm3(Predicted)储存条件:-20°CFreezer溶解度:Chloroform(Slightly),Methanol(Slightly,Heated)酸度系数(pKa):-1.69±0.20(Predicted)形态:Solid
*The following content is generated by AI and is for reference only.
6-Bromo-8-cyclopentyl-2-methanesulfinyl-5-methyl-8H-pyrido[2,3-d]pyrimidin-7-one is a sophisticated heterocyclic organic compound belonging to the pyridopyrimidine class. This molecule features a fused bicyclic core consisting of a pyridine ring and a pyrimidine ring, substituted with diverse functional groups that significantly influence its physicochemical properties and biological activity. The structure includes a bromine atom at the 6-position, which often serves as a strategic handle for further cross-coupling reactions in medicinal chemistry synthesis. At the 8-position, a cyclopentyl group provides steric bulk and lipophilicity, potentially enhancing membrane permeability. The 2-methanesulfinyl moiety introduces polarity and hydrogen-bonding capability, while a methyl group at the 5-position fine-tunes electronic distribution within the scaffold.
Currently, this specific compound does not appear in major public chemical databases such as PubChem or CAS Registry under a widely recognized commercial CAS number, suggesting it may be an intermediate in research, a custom-synthesized probe, or a compound described in specialized academic literature rather than a bulk commodity chemical. Its primary utility lies in pharmaceutical research, particularly in the development of kinase inhibitors, antiviral agents, or anticancer therapeutics. Pyridopyrimidine derivatives are well-documented scaffolds for targeting ATP-binding sites in various enzymes due to their planar geometry and nitrogen-rich coordination potential. The sulfinyl group can also participate in specific receptor interactions, offering a unique binding profile compared to sulfone or sulfide analogs.
In laboratory settings, this molecule serves as a critical building block for Structure-Activity Relationship (SAR) studies. Chemists utilize it to explore how halogen substitution and cyclic alkyl modifications affect potency, selectivity, and metabolic stability. While no broad industrial applications exist yet, its potential value is high in early-stage drug discovery pipelines. Researchers must exercise caution when handling this substance, as many halogenated and sulfur-containing heterocycles exhibit toxicity or environmental persistence. Future work may focus on optimizing its pharmacokinetic properties through derivatization, aiming to transform this complex heterocycle into a viable clinical candidate for treating diseases involving dysregulated protein kinases or viral replication mechanisms.
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