Imidazole based anticancer drug find applications in cancer chemotherapy. 3034-50-2, formula is C4H4N2O, Name is Imidazole-4-carbaldehyde. It is used as buffer component for purification of the histidine tagged recombinant proteins in immobilized metal-affinity chromatography (IMAC). Quality Control of 3034-50-2.
Wang, Huan;Wong, Alison;Lewis, Luke C.;Nemeth, Genevieve R.;Jordan, Veronica Clavijo;Bacon, Jeffrey W.;Caravan, Peter;Shafaat, Hannah S.;Gale, Eric M. research published 《 Rational Ligand Design Enables pH Control over Aqueous Iron Magnetostructural Dynamics and Relaxometric Properties》, the research content is summarized as follows. Complexes of Fe3+ engage in rich aqueous solution speciation chem. in which discrete mols. can react with solvent water to form multinuclear μ-oxo and μ-hydroxide bridged species. Here we demonstrate how pH- and concentration-dependent equilibration between monomeric and μ-oxo-bridged dimeric Fe3+ complexes can be controlled through judicious ligand design. We purposed this chem. to develop a first-in-class Fe3+-based MR imaging probe, Fe-PyCy2AI, that undergoes relaxivity change via pH-mediated control of monomer vs dimer speciation. The monomeric complex exists in a S = 5/2 configuration capable of inducing efficient T1-relaxation, whereas the antiferromagnetically coupled dimeric complex is a much weaker relaxation agent. The mechanisms underpinning the pH dependence on relaxivity were interrogated by using a combination of pH potentiometry, 1H and 17O relaxometry, electronic absorption spectroscopy, bulk magnetic susceptibility, ESR spectroscopy, and X-ray crystallog. measurements. Taken together, the data demonstrate that PyCy2AI forms a ternary complex with high-spin Fe3+ and a rapidly exchanging water coligand, [Fe(PyCy2AI)(H2O)]+ (ML), which can deprotonate to form the high-spin complex [Fe(PyCy2AI)(OH)] (ML(OH)). Under titration conditions of 7 mM Fe complex, water coligand deprotonation occurs with an apparent pKa 6.46. Complex ML(OH) dimerizes to form the antiferromagnetically coupled dimeric complex [(Fe(PyCy2AI))2O] ((ML)2O) with an association constant (Ka) of 5.3 ± 2.2 mM-1. The relaxivity of the monomeric complexes are between 7- and 18-fold greater than the antiferromagnetically coupled dimer at applied field strengths ranging between 1.4 and 11.7 T. ML(OH) and (ML)2O interconvert rapidly within the pH 6.0-7.4 range that is relevant to human pathophysiol., resulting in substantial observed relaxivity change. Controlling Fe3+ μ-oxo bridging interactions through rational ligand design and in response to local chem. environment offers a robust mechanism for biochem. responsive MR signal modulation. We demonstrate how pH- and concentration-dependent equilibration between monomeric and μ-oxo-bridged dimeric Fe3+ complexes can be controlled through judicious ligand design. We purposed this chem. to develop a first-in-class Fe3+-based MR imaging probe, Fe-PyCy2AI, that undergoes relaxivity change via pH-mediated control of S = 5/2 monomer vs antiferromagnetically coupled dimer speciation.
Quality Control of 3034-50-2, 1H-Imidazole-4-carbaldehyde, also known as 1H-Imidazole-4-carbaldehyde, is a useful research compound. Its molecular formula is C4H4N2O and its molecular weight is 96.09 g/mol. The purity is usually 95%.
The starting material for a practical synthesis of a potent C17,20-lyase inhibitor. The lyase is a key enzyme in androgen biosynthesis as well as a target for treatment of androgen-dependent prostate cancer. Used to synthesize potent antimalarial drug.
1H-Imidazole-4-carbaldehyde is a chemical compound that has been shown to bind to the glucocorticoid receptor. It was synthesized by reacting 1,2-diaminobenzene with formaldehyde and then hydrolyzing the intermediate imidazolium salt, which is stable in acidic solutions. The complex can be prepared by mixing two solutions of imidazole and trifluoroacetic acid. The ligand has a redox potential of -0.1 V (vs NHE). This means it can be oxidized to the carbonyl group or reduced back to the imidazole ring. The compound is stable in neutral solution and forms stable complexes with metal ions such as Cu+, Fe3+, and Zn2+. It also coordinates well with oxygen atoms, nitrogen atoms, and water molecules. 1H-Imidazole-4-carbaldehyde has been shown to bind to glucocortic, 3034-50-2.
Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem