The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 1H-Pyrazole-5-carbaldehyde( cas:948552-36-1 ) is researched.Quality Control of 1H-Pyrazole-5-carbaldehyde.Malik, M. Shaheer; Asghar, Basim H.; Syed, Riyaz; Alsantali, Reem I.; Morad, Moataz; Altass, Hatem M.; Moussa, Ziad; Althagafi, Ismail I.; Jassas, Rabab S.; Ahmed, Saleh A. published the article 《Novel pyran-linked phthalazinone-pyrazole hybrids: synthesis, cytotoxicity evaluation, molecular modeling, and descriptor studies》 about this compound( cas:948552-36-1 ) in Frontiers in Chemistry (Lausanne, Switzerland). Keywords: pyran phthalazinyl pyrazolyl preparation antitumor docking physiochem mol descriptor; anticancer activity; molecular descriptors; molecular modelling; multicomponent; phthalazinone; pyran; pyrazole hybrids. Let’s learn more about this compound (cas:948552-36-1).
A series of novel pyran-linked phthalazinone-pyrazole hybrids I (R = H, Me; R1 = H, Me; X = CN, COOEt) were designed and synthesized by a facile one-pot three-component reaction employing 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)-3-oxopropanenitrile, 1H-pyrazole-5-carbaldehydes II, and active methylene compounds XCH2CN. Optimization studies led to the identification of L-proline and ethanol as efficient catalyst and solvent, resp. This was followed by evaluation of anticancer activity against solid tumor cell lines of lung and cervical carcinoma that displayed IC50 values in the range of 9.8-41.6μM. Mol. modeling studies were performed, and crucial interactions with the target protein were identified. The drug likeliness nature of the compounds and mol. descriptors such as mol. flexibility, complexity, and shape index were also calculated to understand the potential of the synthesized mols. to act as lead-like mol. upon further detailed biol. investigations as well as 3D-QSAR studies.
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