Category: 608-34-4

Araki, Koji published the artcileDesign of a fluorescent host for monitoring multiple hydrogen-bonding interaction directly by intramolecular charge-transfer emission, Formula: C5H6N2O2, the publication is Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1998), 1391-1396, database is CAplus.

The hosts 2-dodecanamido-4-methyl-N-[4-(dimethylamino)phenyl]quinoline-7-carboxamide 1 and 2-dodecanamido-4-methyl-N-(4-methoxyphenyl)quinoline-7-carboxamide 2 bearing an aromatic amide unit exhibit an anomalous fluorescence with a large Stokes shift at around 500-600 nm (LW emission) due to an intramol. charge-transfer (ICT) process. The guests 3-ethyl-3-methylglutarimide (bemegride) 4 and 1-methyluracil 5 are associated with the hosts by forming three hydrogen bonds, and the LW emission of the hosts largely increases. On the other hand, the guest 3-methyluracil 6 does not affect the emission of the hosts at all, though formation of two hydrogen bonds with the hosts is confirmed by ¹H NMR measurement. It is concluded that the hosts 1 and 2 can selectively detect the guests 4 and 5 that form hydrogen bonds both at the quinoline ring nitrogen and the amide proton (H_α) of the hosts simultaneously to affect rotation of the amide bond.

Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry published new progress about 608-34-4. 608-34-4 belongs to pyrimidines, auxiliary class Pyrimidine,Amide, name is 3-Methylpyrimidine-2,4(1H,3H)-dione, and the molecular formula is C5H6N2O2, Formula: C5H6N2O2.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/Pyrimidine,
Pyrimidine – Wikipedia

Palafox, M. Alcolea published the artcileQuantum Chemical Scaling and its Importance: The Infrared and Raman Spectra of 5-Bromouracil, Recommanded Product: 3-Methylpyrimidine-2,4(1H,3H)-dione, the publication is Spectroscopy Letters (2010), 43(1), 51-59, database is CAplus.

This work describes the interest and necessity of scaling to correct the deficiencies in the calculation of the harmonic vibrational wave numbers The use of adequate quantum-chem. methods and scaling procedures reduces the risk in the assignment and can also accurately determine the contribution of the different modes in an observed band. As an example, the IR and laser-Raman spectra of the 5-bromouracil biomol. are shown.

Spectroscopy Letters published new progress about 608-34-4. 608-34-4 belongs to pyrimidines, auxiliary class Pyrimidine,Amide, name is 3-Methylpyrimidine-2,4(1H,3H)-dione, and the molecular formula is C5H6N2O2, Recommanded Product: 3-Methylpyrimidine-2,4(1H,3H)-dione.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/Pyrimidine,
Pyrimidine – Wikipedia

Iltzsch, Max H. published the artcileStructure-activity relationship of ligands of uracil phosphoribosyltransferase from Toxoplasma gondii, Application of 3-Methylpyrimidine-2,4(1H,3H)-dione, the publication is Biochemical Pharmacology (1994), 48(4), 781-91, database is CAplus and MEDLINE.

One hundred compounds were evaluated as ligands of Toxoplasma gondii, uracil phosphoribosyltransferase (UPRTase, EC 2.4.2.9) by examining their ability to inhibit this enzyme in vitro. Inhibition was quantified by determining apparent K_i values fo those compounds that inhibited T. gondii UPRTase by greater than 10% at a concentration of 2 mM. Five compounds (4-thiopyridine, 2-thiopyrimidine, trihiocyanuric acid, 1-deazauracil and 2,4-dithiouracil) bound to the enzyme better than two known substrates for T. gondii UPRTase, 5-fluorouracil and emimycin, which have antitoxoplasmal activity (Pfefferkorn ER, Exp Parasitol 44: 26-35, 1978; Pfefferkorn et al., Exp Parasitol 69: 129-139, 1989). In addition, several selected compounds were evaluated as substrates for T. gondii UPRTase, and it was found that 2,4-dithiouracil is also a substrate for this enzyme. On the basis of these data, a structure-activity relationship for the binding of ligands to T. gondii UPRTase was determined using uracil as a reference compound

Biochemical Pharmacology published new progress about 608-34-4. 608-34-4 belongs to pyrimidines, auxiliary class Pyrimidine,Amide, name is 3-Methylpyrimidine-2,4(1H,3H)-dione, and the molecular formula is C5H6N2O2, Application of 3-Methylpyrimidine-2,4(1H,3H)-dione.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/Pyrimidine,
Pyrimidine – Wikipedia

Goerner, Helmut published the artcileIon-forming processes on 248-nm laser excitation of uracil and methyl-monosubstituted uracils: a time-resolved transient conductivity study in aqueous solution, HPLC of Formula: 608-34-4, the publication is Radiation Physics and Chemistry (1995), 45(4), 677-88, database is CAplus.

Uracil, thymine and 1-, 3-, and 6-methyluracil were studied by time-resolved optical and conductometric methods after 248-nm excitation with 20-ns laser pulses. The transient conductivity in argon-saturated aqueous solution, showing a maximum increase (Δκ^max) during the pulse, is ascribed to the generation of hydrated electrons (e_aq^–) and protons. Biphotonic photoionization as the primary process is inferred from the almost linear dependence of Δκ^max on the square of the laser pulse intensity (I_L²). The quantum yield, obtained from either Δκ^max or optical detection of e_aq^–, e.g., Φ_e^– = 0.02 for uracil at pH 7 and I_L = 12 MW cm^-2, varies by a factor of about two for the five pyrimidines. The neutralization kinetics depend strongly on pH and the concentrations of laser-induced e_aq^– and H⁺, i.e., on I_L. At pH 6-7 the Δκ signal decays by second-order kinetics. Under argon the electron adds to the (methyl)uracil and neutralization occurs by reaction of the radical anion with a proton, which originates from a fast decay of the radical cation. Virtually the same conductivity pattern was found for the neutralization reaction of OH^– and H⁺ under N₂O. In the acidic pH range the decay changes to first-order kinetics due to reaction of H⁺ with e_aq^– under argon or with OH^– under N₂O. In the alk. pH range OH^– release is involved in the relaxation process resulting from the radical cation after excitation of the conjugate base. No indication of a specific spatial correlation of the charged species, as proposed earlier by Grossweiner for other systems, was found.

Radiation Physics and Chemistry published new progress about 608-34-4. 608-34-4 belongs to pyrimidines, auxiliary class Pyrimidine,Amide, name is 3-Methylpyrimidine-2,4(1H,3H)-dione, and the molecular formula is C5H6N2O2, HPLC of Formula: 608-34-4.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/Pyrimidine,
Pyrimidine – Wikipedia

Yekeler, Huelya published the artcileProtomeric tautomerisms of N-methylated pyrimidine bases, Synthetic Route of 608-34-4, the publication is Journal of Molecular Structure: THEOCHEM (2005), 713(1-3), 201-206, database is CAplus.

Tautomerisms of N1-Me, N3-Me, and N1, N3-dimethyl derivatives of uracil, 5-fluorouracil and thymine have been examined in the gas phase and in water. Geometry optimizations were carried out at the HF/6-31G**, HF/6-31+G** and B3LYP/6-31+G** levels. Also, single-point MP2/6-31+G** calculations were performed on the HF/6-31+G** optimized geometries. The influence of the solvent was examined from the self-consistent reaction field (SCRF) calculations Analyzing the results, only attachment of fluorine atom at position 5 of N1-Me uracil changes the order of the stabilities of the tautomers.

Journal of Molecular Structure: THEOCHEM published new progress about 608-34-4. 608-34-4 belongs to pyrimidines, auxiliary class Pyrimidine,Amide, name is 3-Methylpyrimidine-2,4(1H,3H)-dione, and the molecular formula is C21H37BO, Synthetic Route of 608-34-4.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/Pyrimidine,
Pyrimidine – Wikipedia

Wen, Qian published the artcileStudy on the chemical constituents of Crinum latifolium, Product Details of C5H6N2O2, the publication is Yaoxue Shijian Zazhi (2010), 28(3), 225-227, database is CAplus.

The objective of this paper is to investigate the chem. constituents of Crinum latifolium. The chem. constituents of methanol extract of Crinum latifolium were separated by various chromatog. methods. The structures of these chem. constituents were identified by spectral data and physicochem. property. Results show that 15 compounds were resp. identified as: beta-sitosterol (1), daucosterol (2), 5-methyl-2,4(1H,3H)-pyrimidinedione (3), β-purine (4), p-hydroxybenzoic acid (5), Et 4-hydroxybenzoate (6), cinnamyl D-glucopyranoside (7), benzyl D-glucopyranoside (8), adenosine (9), uridine (10), Z-cinnamic acid (11), 5-O-nitrosouridine (12), 3-methyl-1H-pyrimidine-2, 4-dione (13), N-methyl-benzamide (14), and E-cinnamic acid (15). It was concluded that compounds 3-4, 7-10, 12-14 were isolated from Crinum latifolium for the first time.

Yaoxue Shijian Zazhi published new progress about 608-34-4. 608-34-4 belongs to pyrimidines, auxiliary class Pyrimidine,Amide, name is 3-Methylpyrimidine-2,4(1H,3H)-dione, and the molecular formula is C3H5BN2O2, Product Details of C5H6N2O2.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/Pyrimidine,
Pyrimidine – Wikipedia

Sulkowska, Anna published the artcileInteractions between pyrimidine bases derivatives and serum albumin in the presence of urea, Application of 3-Methylpyrimidine-2,4(1H,3H)-dione, the publication is Colloids and Surfaces, A: Physicochemical and Engineering Aspects (1999), 158(1-2), 151-156, database is CAplus.

A study of complex formation between pyrimidine base derivatives and serum albumin should allow us to determine the specificity of interactions of the pyrimidine derivatives with proteins. The role of the secondary and tertiary structure of serum albumin on the binding of the protein is also under investigation. The possible importance of the interactions between aliphatic residues of pyrimidine bases derivatives and serum albumin is discussed with respect to the problem of specific protein-nucleic acid interactions. The results suggest a release of ligands from their binding sites on the denatured polypeptide chain. The importance of hydrophobic interactions of the C5 Me group with hydrophobic grooves of protein in the presence of urea is suggested.

Colloids and Surfaces, A: Physicochemical and Engineering Aspects published new progress about 608-34-4. 608-34-4 belongs to pyrimidines, auxiliary class Pyrimidine,Amide, name is 3-Methylpyrimidine-2,4(1H,3H)-dione, and the molecular formula is C8H6KNO4S, Application of 3-Methylpyrimidine-2,4(1H,3H)-dione.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/Pyrimidine,
Pyrimidine – Wikipedia

Sulkowska, A. published the artcilePhysical aspects of the interaction of pyrimidine and purine bases with proteins, COA of Formula: C5H6N2O2, the publication is Spectroscopy (Amsterdam, Netherlands) (2002), 16(3,4), 379-385, database is CAplus.

The study of complexation of purine and pyrimidine derivatives with two kind of serum albumin using ¹H NMR and spectrofluorescence technique are performed in order to obtain model interactions nucleic acid bases-protein. The order of binding strength is as follows: 5mC > 5mU(T) > 3mU > U for pyrimidines and N6mAde > N6Ado > 1mAde > ATP > Ado > Ade for adenine derivatives The effect of temperature on the hydrophobic interaction between the nitrogen bases and protein has been studied. The destabilization of protein structure causes loss of tertiary structural contacts, indicating that protein conformation is crucial for binding.

Spectroscopy (Amsterdam, Netherlands) published new progress about 608-34-4. 608-34-4 belongs to pyrimidines, auxiliary class Pyrimidine,Amide, name is 3-Methylpyrimidine-2,4(1H,3H)-dione, and the molecular formula is C6H12Br2, COA of Formula: C5H6N2O2.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/Pyrimidine,
Pyrimidine – Wikipedia

Poznanski, Jaroslaw published the artcilePartial molar volume as an important thermodynamic parameter. Application for uracil methyl derivatives, Product Details of C5H6N2O2, the publication is Journal of Molecular Liquids (2005), 121(1), 15-20, database is CAplus.

Quantum mech. calculations of the solvation were performed for all 16 possible methylated uracil derivatives using the Polarizable Continuum Model (PCM) approach. The obtained results were found to reproduce the exptl. data of hydration enthalpies. The decomposition of QM-derived Gibbs energy enabled us to correlate the solute-solvent Gibbs energy interaction with the difference between partial molar volume and mol. volume In aqueous medium, the change of the “effective” solute volume upon dissolution costs 1.8 kJ mol^-1 per every 1 cm³ mol^-1 of the difference between solute partial molar volume and mol. volume

Journal of Molecular Liquids published new progress about 608-34-4. 608-34-4 belongs to pyrimidines, auxiliary class Pyrimidine,Amide, name is 3-Methylpyrimidine-2,4(1H,3H)-dione, and the molecular formula is C5H6N2O2, Product Details of C5H6N2O2.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/Pyrimidine,
Pyrimidine – Wikipedia

Lv, Jing-Hui published the artcileMellitic acid production by ruthenium ion-catalyzed oxidation of cokes, Computed Properties of 608-34-4, the publication is Journal of Cleaner Production (2021), 124828, database is CAplus.

Cokes are rich in highly condensed aromatic rings, however, the current applications of cokes mainly focus on the thermal energy or carbon-rich structures, and the aromatic ring structures in cokes are underutilized, which are usually employed as feedstock to fabricate valuable fine chems. and synthesized with complex steps. The pyrolysis temperatures have great impact on the structures of resulting cokes. It is necessary to learn about the structural features of cokes produced from different pyrolysis conditions to explore the optimal reaction conditions. This study reported an eco-friendly and efficient method, ruthenium ion-catalyzed oxidation, to utilize Guizhou cokes produced from different pyrolysis temperatures for green and value-added chem. production The results indicate that arenecarboxylic acids account for more than 90% of all the oxidation products, in which mellitic acid could be up to more than 70%. Compared with previous studies, this is the highest mellitic acid yield achieved in the oxidation products of fossil resources, indicating that cokes show good performance for the clean production of mellitic acid. The ruthenium ion-catalyzed oxidation product distribution demonstrates that 1,200 °C is a turning point during coking of Guizhou coals and the structure and reactivity of Guizhou coke_1,200 deviate from the expected variation tendency, which is related to the inverse influence of pyrolysis temperatures on condensation degree and ash property of cokes. Effect of pyrolysis temperatures on aromatic structures and reactivity of Guizhou cokes was also discussed further.

Journal of Cleaner Production published new progress about 608-34-4. 608-34-4 belongs to pyrimidines, auxiliary class Pyrimidine,Amide, name is 3-Methylpyrimidine-2,4(1H,3H)-dione, and the molecular formula is C5H6N2O2, Computed Properties of 608-34-4.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/Pyrimidine,
Pyrimidine – Wikipedia