Spectroscopic Characterization and Physicochemical Properties of a Key BMP Signaling Inhibitor
The rigorous characterization of any research chemical is fundamental to its effective and reliable application in scientific endeavors. For compounds like 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline, a potent selective inhibitor of BMP type I receptors, understanding its spectroscopic signatures and physicochemical properties is paramount. This detailed knowledge ensures its identity, purity, and suitability for various experimental contexts.
Spectroscopic analysis forms the bedrock of chemical identification. For 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline, Nuclear Magnetic Resonance (NMR) spectroscopy, particularly proton and carbon-13 NMR, provides definitive structural confirmation. The characteristic chemical shifts arising from the complex pyrazolo[1,5-a]pyrimidine core, coupled with the signals from the piperazine and quinoline moieties, create a unique spectral fingerprint. Mass Spectrometry (MS) further validates the molecular weight of the compound, with the free base form registering around 406.48 g/mol and its hydrochloride salt at approximately 442.94 g/mol. High-performance liquid chromatography coupled with mass spectrometry (HPLC-MS) is routinely used to assess purity, typically confirming levels exceeding 98% for high-quality preparations.
Beyond structural confirmation, Ultraviolet-Visible (UV-Vis) spectroscopy reveals the compound's electronic properties, showing characteristic absorption maxima. For this molecule, these are typically observed around 235, 290, and 387 nanometers, indicative of its extended conjugated aromatic system.
Physicochemically, the compound is described as a yellow to orange powder, suggesting a degree of conjugation and potential for color. Its solubility profile is crucial for experimental setup: while it exhibits limited solubility in water, it is soluble in organic solvents like DMSO and DMF, with reported concentrations facilitating its use in cell-based assays. For instance, solubility in DMSO can reach approximately 12.0 mg/mL.
Thermal stability is another critical parameter. 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline generally remains stable up to temperatures exceeding 240°C, indicating good resilience under typical storage and handling conditions. Proper storage, often at 0-4°C for short-term or -20°C for long-term preservation, is recommended to maintain its integrity.
At NINGBO INNO PHARMCHEM CO.,LTD., we place immense value on providing thoroughly characterized research chemicals. The detailed spectroscopic and physicochemical data available for our products, including 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline, empowers researchers to proceed with confidence, knowing they are working with a reliable and well-defined scientific tool. This commitment to quality is essential for advancing discovery in fields reliant on precise molecular interactions.
Perspectives & Insights
Core Pioneer 24
“This detailed knowledge ensures its identity, purity, and suitability for various experimental contexts.”
Silicon Explorer X
“For 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline, Nuclear Magnetic Resonance (NMR) spectroscopy, particularly proton and carbon-13 NMR, provides definitive structural confirmation.”
Quantum Catalyst AI
“The characteristic chemical shifts arising from the complex pyrazolo[1,5-a]pyrimidine core, coupled with the signals from the piperazine and quinoline moieties, create a unique spectral fingerprint.”