Day: November 16, 2022

Litonska, Ewa published the artcileConformation of the dimethylamino group in cytosine and in simple model pyrimidines and pyridines. Steric effects of ortho-methyl substitution on infrared spectra and molecular dipole moments, HPLC of Formula: 22433-68-7, the main research area is conformation methylamino group pyrimidine; methyl group steric hindrance; pyridine dimethylamino dipole moment; cytosine dimethylamino dipole moment; IR dimethylamino conformation; ortho effect methyl group.

The IR of NR2 (R = H, Me) derivatives of 4- or 5-substituted pyrimidines, 4-substituted pyridines, benzenes, or the resp. cytosines were determined in the skeletal ring vibration region. The sensitivity of the ring vibrations, at �600 cm-1, to electron donating groups is used to determine the o-Me group as the steric hindrance of NMe2 conjugation with the ring. The dipole moments of simple pyrimidine and pyridine derivatives were determined in C6H6. The vectorial anal. of the dipole moments indicates that the twisting of the Me2N group in the hindered derivatives decreases in the order: 5-dimethylaminopyrimidine > 4-dimethylaminopyridine > 4-dimethylaminopyrimidine. Sterically crowded I is planar.

Acta Biochimica Polonica published new progress about Amino group. 22433-68-7 belongs to class pyrimidines, name is 4-Amino-5-methylpyrimidine, and the molecular formula is C5H7N3, HPLC of Formula: 22433-68-7.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Pace, Paola published the artcileDihydroxypyrimidine-4-carboxamides as Novel Potent and Selective HIV Integrase Inhibitors, Application In Synthesis of 519028-33-2, the main research area is pyrimidinecarboxamide dihydro preparation HIV integrase inhibitor.

Human immunodeficiency virus type-1 (HIV-1) integrase, one of the three constitutive viral enzymes required for replication, is a rational target for chemotherapeutic intervention in the treatment of AIDS that has also recently been confirmed in the clin. setting. We report here on the design and synthesis of N-benzyl-5,6-dihydroxypyrimidine-4-carboxamides as a class of agents which exhibits potent inhibition of the HIV-integrase-catalyzed strand transfer process. In the current study, structural modifications on these mols. were made in order to examine effects on HIV-integrase inhibitory potencies. One of the most interesting compounds for this series is 2-[1-(dimethylamino)-1-methylethyl]-N-(4-fluorobenzyl)-5,6-dihydroxypyrimidine-4-carboxamide, with a CIC95 of 78 nM in the cell-based assay in the presence of serum proteins. The compound has favorable pharmacokinetic properties in preclin. species (rats, dogs, and monkeys) and shows no liabilities in several counterscreening assays, highlighting its potential as a clin. useful antiviral agent.

Journal of Medicinal Chemistry published new progress about Homo sapiens. 519028-33-2 belongs to class pyrimidines, name is Benzyl (2-(4-((4-fluorobenzyl)carbamoyl)-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl)carbamate, and the molecular formula is C23H23FN4O5, Application In Synthesis of 519028-33-2.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Iltzsch, Max H. published the artcileStructure-activity relationship of ligands of uracil phosphoribosyltransferase from Toxoplasma gondii, Application of 5-N-Propyluracil, the main research area is structure ligand uracil phosphoribosyltransferase Toxoplasma.

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 Ki 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 Protozoacides. 19030-75-2 belongs to class pyrimidines, name is 5-N-Propyluracil, and the molecular formula is C7H10N2O2, Application of 5-N-Propyluracil.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Yamagami, Chisako published the artcileHydrophobicity parameter of diazines. III. Relationship of partition coefficients of monosubstituted diazines and pyridines in different partitioning systems, Application In Synthesis of 42839-08-7, the main research area is partition structure pyrazine pyrimidine pyridine; hydrogen bond partition pyrazine pyrimidine pyridine.

The logarithm of the 1-octanol-water partition coefficient value (log Poct) was compared with those from CHCl3-water (log PCL) and di-n-Bu ether-water (log PE) for (di)azines substituted singly by nonhydrogen-bonding and hydrogen-accepting substituents (2-substituted pyrazines, 2-substituted pyrimidines, and 2-substituted pyridines). The difference between log Poct and log PCL for diazines was primarily governed by the number of hydrogen-bonding sites in the substituent. For 2-substituted pyridines, the difference in the hydrogen-bonding association of the ring N-atom with octanol from that with CHCl3 was also significant. In the relationship between log Poct and log PE, the hydrogen-bonding solvations of the ring N-atom(s), as well as the hydrogen-accepting substituent with octanol, should be taken into account because the Bu ether acts as a nonhydrogen-bonding solvent.

Journal of Pharmaceutical Sciences published new progress about Hydrogen bond. 42839-08-7 belongs to class pyrimidines, name is Ethyl pyrimidine-2-carboxylate, and the molecular formula is C7H8N2O2, Application In Synthesis of 42839-08-7.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Yamagami, Chisako published the artcileHydrophobicity parameters determined by reversed-phase liquid chromatography. IX. Relationship between capacity factor and water-octanol partition coefficient of monosubstituted pyrimidines, Category: pyrimidines, the main research area is pyrimidine reversed phase high performance chromatog; capacity factor pyrimidine; hydrophobicity pyrimidine correlation capacity factor; partition coefficient pyrimidine correlation chromatog; liquid chromatog reversed phase pyrimidine.

The capacity factors, k’, of 2- and 5-substituted pyrimidines were determined by reversed-phase high performance liquid chromatog. (RPLC). The log k’ values were correlated with log P by using correction terms for the hydrogen-bond effects of the aza functions of the diazine ring and the substituent. By analogy with the case of the pyrazine series previously studied, a correlation equation with indicator variables categorizing the type and strength of the substituent hydrogen-bonding, and the elec. constant of substituents as addnl. parameters was obtained to describe the correlation between log k’ and log P. Suitable mobile-phase conditions to predict reliable log P values are proposed.

Chemical & Pharmaceutical Bulletin published new progress about Hydrogen bond. 42839-08-7 belongs to class pyrimidines, name is Ethyl pyrimidine-2-carboxylate, and the molecular formula is C7H8N2O2, Category: pyrimidines.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Feher, Csaba published the artcileSynthesis of ferrocene-labeled 2-aminopyrimidine derivatives via homogeneous catalytic carbonylation, Related Products of pyrimidines, the main research area is carbonylation iodoferrocene aminopyrimidine palladium catalyst; crystal structure mol ferrocenyl aminopyrimidine derivative preparation hydrogen bond.

The palladium-catalyzed carbonylation of iodoferrocene was investigated in the presence of 2-aminopyrimidine derivatives as nucleophiles. 2-Amino-4-hydroxy-6-methylpyrimidine was found to act both as an O- and an N-nucleophile, leading to an ester and an amide derivative, resp. Together with other spectroscopic methods, the structure of both products was proved by x-ray crystallog. 2-(Ferrocenoylamino)-4-chloro-6-alkylpyrimidines were obtained during carbonylation of iodoferrocene and 2-amino-4-chloro-6-alkylpyrimidines. The formation of a dimeric product via two subsequent carbonylation steps was also observed The products may have practical importance as electrochem. detectable biosensors or building blocks for supramol. assemblies.

Monatshefte fuer Chemie published new progress about Carbonylation. 73576-33-7 belongs to class pyrimidines, name is 4-Chloro-6-isopropylpyrimidin-2-amine, and the molecular formula is C7H10ClN3, Related Products of pyrimidines.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Li, Jian-Yuan published the artcilePalladium-Catalyzed Hydroxycarbonylation of (Hetero)aryl Halides for DNA-Encoded Chemical Library Synthesis, Synthetic Route of 60703-80-2, the main research area is palladium catalyzed hydroxycarbonylation heteroaryl halide DNA encoded library synthesis.

A strategy for DNA-compatible, palladium-catalyzed hydroxycarbonylation of (hetero)aryl halides on DNA-chem. conjugates has been developed. This method generally provided the corresponding carboxylic acids in moderate to very good conversions for (hetero)aryl iodides and bromides, and in poor to moderate conversions for (hetero)aryl chlorides. These conditions were further validated by application within a DNA-encoded chem. library synthesis and subsequent discovery of enriched features from the library in selection experiments against two protein targets.

Bioconjugate Chemistry published new progress about Carbonylation. 60703-80-2 belongs to class pyrimidines, name is 6-Bromothieno[2,3-d]pyrimidine, and the molecular formula is C6H3BrN2S, Synthetic Route of 60703-80-2.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Devine, Shane M. published the artcileA critical evaluation of pyrrolo[2,3-d]pyrimidine-4-amines as Plasmodium falciparum apical membrane antigen 1 (AMA1) inhibitors, Category: pyrimidines, the main research area is pyrrolopyrimidineamine derivative antimalarial AMA1 inhibitor Plasmodium malaria.

We have determined that a previously reported class of pyrrolo[2,3-d]pyrimidine-4-amines exhibit low binding to apical membrane antigen 1 (AMA1) and suffer from unattractive qualities, such as aggregation. We attempted to remove these traits by generating mols. with improved solubility, but this did not translate into enhanced binding affinity or inhibition of parasite growth in erythrocytes. These results indicate that anti-malarial activity is not primarily due to inhibition of AMA1 function, but mediated by an alternate or addnl. mechanism of action.

MedChemComm published new progress about Antimalarials. 1266343-30-9 belongs to class pyrimidines, name is 5-Bromo-4-chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine, and the molecular formula is C7H5BrClN3, Category: pyrimidines.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Yamanaka, Hiroshi published the artcileStudies on pyrimidine derivatives. XXXIX. Site-selectivity in the reaction of 5-substituted and 4,5-disubstituted pyrimidine N-oxides with trimethylsilyl cyanide, Quality Control of 38275-56-8, the main research area is Reissert Henze pyrimidine oxide regiochem; methylsilyl cyanide pyrimidine oxide reaction; pyrimidinecarbonitrile.

The site-selectivity in the modified Reissert-Henze reaction of pyrimidine 1-oxides I (R = OMe, R1 = Ph, Me, OMe, Br, Cl) with Me3SiCN gave pyrimidinecarbonitriles II (R = OMe, same R1, R2 = H, R3 = cyano) in 53-95% yields, whereas I (R = H, Ph, Me, same R1) gave mainly II (R = H, Ph, Me, same R1, R2 = cyano, R3 = H).

Chemical & Pharmaceutical Bulletin published new progress about Regiochemistry. 38275-56-8 belongs to class pyrimidines, name is 5-Chloropyrimidine-2-carbonitrile, and the molecular formula is C5H2ClN3, Quality Control of 38275-56-8.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Yamagami, Chisako published the artcileHydrophobicity parameter of diazines. 1. Analysis and prediction of partition coefficients of monosubstituted diazines, Computed Properties of 42839-08-7, the main research area is hydrophobicity diazine LFER; partition coefficient diazine.

The octanol/water partition coefficient (P) of a number of monosubstituted diazines was measured. The composition of the π value of substituents, the increment in the log P value accompanying the introduction of substituents, was examined in terms of physicochem. substituent parameters and correlation anal. The diazine-π value of substituents was generally higher than the pyridine-π value of corresponding substituents, indicating that the intramol. electronic interactions between the ring-N atoms and substituent are more pronounced than those in substituted pyridines in governing the log P value of the mol. Except for 2-substituted pyrimidines, the π value of substituents in each series of monosubstituted diazines was in general nicely correlated with the π value of the corresponding substituents in substituted pyridines along with electronic parameter terms representing bidirectional electronic effects on the relative solvation of the ring-N atom(s) and the hydrogen-bondable substituents with partitioning solvents according to the procedure proposed previously for the anal. of the π value in disubstituted benzenes and monosubstituted pyridines. Keeping in mind that 2-pyrimidines substituted by hydrogen-bondable groups sometimes behave as outliers, the correlations were believed to be usable for prediction of log P values of monosubstituted diazines.

Quantitative Structure-Activity Relationships published new progress about Hydrophobicity. 42839-08-7 belongs to class pyrimidines, name is Ethyl pyrimidine-2-carboxylate, and the molecular formula is C7H8N2O2, Computed Properties of 42839-08-7.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia