Month: November 2022

On May 2, 2019, Kua, Jeremy published an article.Name: 5-(Hydroxymethyl)pyrimidine-2,4(1H,3H)-dione The title of the article was Exploring Free Energy Profiles of Uracil and Cytosine Reactions with Formaldehyde. And the article contained the following:

Simple polymers can be potentially formed by the co-oligomerization of pyrimidine nucleobases, uracil and cytosine, with the small mol. formaldehyde. Using d. functional calculations, we have constructed a free energy map outlining the thermodn. and kinetics for (1) the addition of formaldehyde to uracil and cytosine to form hydroxymethylated uracil (HMU) and hydroxymethylated cytosine (HMC), (2) the deamination of cytosine and HMC to uracil and HMU, resp., and (3) the initial oligomerization of 5-HMU. For the initial formation of monomeric HMU, addition of formaldehyde to the C5 and C6 positions is thermodynamically favored over N1 and N3, but faces higher kinetic barriers, and explains why 5-HMU is the main product observed exptl. Oligomerization of 5-HMU is thermodynamically favorable although decreasingly so at the tetramer stage. In addition, decreasing concentrations of initial monomer shifts the equilibrium disfavoring oligomer formation. The experimental process involved the reaction of 5-(Hydroxymethyl)pyrimidine-2,4(1H,3H)-dione(cas: 4433-40-3).Name: 5-(Hydroxymethyl)pyrimidine-2,4(1H,3H)-dione

The Article related to free energy profile reaction uracil cytosine formaldehyde, Physical Organic Chemistry: Theoretical Organic Chemical Concepts, Including Quantum and Molecular Mechanical Studies and other aspects.Name: 5-(Hydroxymethyl)pyrimidine-2,4(1H,3H)-dione

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On December 31, 2014, Terent’ev, A. O.; Borisova, N. S.; Khamitov, E. M.; Zimin, Yu. S.; Mustafin, A. G. published an article.Quality Control of 6-Methylpyrimidine-2,4(1H,3H)-dione The title of the article was Experimental and quantum-chemical studies of the reactions of 6-methyluracil with succinic and fumaric acids. And the article contained the following:

Possible structures of 6-methyluracil complexes with succinic and fumaric acids were studied by quantum-chem. means. The possibility of complex formation occurring between 6-methyluracil and the acids in the ionized and nonionized states was evaluated. The form of the complexes containing the nonionized acid was found to dominate. The quantum-chem. calculation data were consistent with the exptl. results. The experimental process involved the reaction of 6-Methylpyrimidine-2,4(1H,3H)-dione(cas: 626-48-2).Quality Control of 6-Methylpyrimidine-2,4(1H,3H)-dione

The Article related to methyluracil succinic fumaric acid hydrogen bonding chem shift, Physical Organic Chemistry: Theoretical Organic Chemical Concepts, Including Quantum and Molecular Mechanical Studies and other aspects.Quality Control of 6-Methylpyrimidine-2,4(1H,3H)-dione

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On February 5, 2021, Sambathkumar, S.; Manivannan, C.; Baskaran, S.; Kumar, R. Raj; Anbazhagan, V. published an article.Synthetic Route of 626-48-2 The title of the article was A study on the interaction of nile blue with Uracils: A spectroscopic and computational approach. And the article contained the following:

The present work focuses the investigation on fluorescence quenching of nile blue (NB) in presence of various substituted uracil mols. UV-Visible absorption studies signify the possibility of ground state complex formation between NB and uracil mols. The increase in concentration of quencher mols. greatly influences the emission spectra of NB. The bimol. quenching rate constant (kq) were calculated and found to depend on the position and electronic properties of substituent in quencher mols. Fluorescence quenching experiments were performed at different temperature to calculate the thermodn. parameters. The fluorescence lifetime measurements show that the quenching process proceeds through static quenching. The mechanism of fluorescence quenching includes the possibility of proton transfer. The bond dissociation enthalpy (BDE) reveals the release of H· from the quencher mols. The quencher mols. possess antioxidant activity and identified using deoxyribose degradation assay. The position of substituent and its electronic property are key features to address the antioxidant activity of uracil mols. The experimental process involved the reaction of 6-Methylpyrimidine-2,4(1H,3H)-dione(cas: 626-48-2).Synthetic Route of 626-48-2

The Article related to nile blue uracil fluorescence quenching kinetics antioxidant activity, antioxidant activity, fluorescence quenching, nile blue, uracil, Physical Organic Chemistry: Theoretical Organic Chemical Concepts, Including Quantum and Molecular Mechanical Studies and other aspects.Synthetic Route of 626-48-2

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Hua, XinZhong; Hua, LinQiang; Liu, XiaoJun published an article in 2016, the title of the article was The methyl- and aza-substituent effects on nonradiative decay mechanisms of uracil in water: a transient absorption study in the UV region.Related Products of 626-48-2 And the article contains the following content:

The nonradiative decay dynamics of photo-excited uracil (Ura) and its derivatives, i.e., thymine (5-methyluracil, Thy), 6-methyluracil (6-MU) and 6-azauracil (6-AU) in water, has been studied using a femtosecond transient absorption method. The mols. are populated in the lowest 1ππ* state by a pump pulse at 266 nm, and a broadband continuum in the deep UV region is then employed as the probe. The extension of the continuous UV probe down to 250 nm enables us to investigate comprehensively the population dynamics of the ground states for those mols. and to uncover the substituent effects on nonradiative decay dynamics of uracil. Vibrational cooling in the ground states of Ura, Thy and 6-MU has been directly observed for the first time, providing solid evidence of the ultrafast 1ππ* → S0 decay. In combination with the ground state bleaching signals, it is consolidated that their lowest 1ππ* state decays via two parallel pathways, i.e., 1ππ* → S0 and 1ππ* → 1nπ*. Moreover, the contribution of the 1ππ* → 1nπ* channel is found to be much smaller for Thy or 6-MU than for Ura. Different from methyl-substitution, the initial 1ππ* state of the aza-substituent 6-AU decays primarily to the 1nπ* state, while the 1ππ* → S0 channel can be negligible. The experimental process involved the reaction of 6-Methylpyrimidine-2,4(1H,3H)-dione(cas: 626-48-2).Related Products of 626-48-2

The Article related to methyluracilsubstituent effect transient nonradiative transition, Radiation Chemistry, Photochemistry, and Photographic and Other Reprographic Processes: Radiation Chemistry and Photochemistry and other aspects.Related Products of 626-48-2

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On November 1, 2012, Holson, Edward; Wagner, Florence Fevrier; Weiwer, Michel published a patent.Reference of 6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine hydrochloride The title of the patent was Preparation of heterocyclic phenyl carboxamide compounds as inhibitors of histone deacetylase for therapy. And the patent contained the following:

The present invention relates to compounds of formula I, or a pharmaceutically acceptable salt, hydrate, solvate, or prodrug thereof, wherein U is (un)substituted CH2-CH2, (un)substituted NH, (un)substituted NH-NH-, and O; J is NH2, OH, and SH; V is C and N, with provisos; X is H, deuterium, Me, CF3, and halo; R2a, R2b, and R2c are independently H, halo, OH, NH2, and C1-8 alkyl; R5 is H, deuterium, halo, OH, C1-8 alkyloxy, etc.; and t = 0-3. The present invention relates generally to inhibitors of histone deacetylase and to methods of making and using them. These compounds are useful for promoting cognitive function and enhancing learning and memory formation. In addition, these compounds are useful for treating, alleviating, and/or preventing various conditions, including for example, neurol. disorders, memory and cognitive function disorders/impairments, extinction learning disorders, fungal diseases and infections, inflammatory diseases, hematol. diseases, and neoplastic diseases in humans and animals. Synthetic procedures for preparing I are exemplified. Example compound II was prepared in a multistep synthetic scheme that involved reaction of tetrahydro-2H-pyran-4-carboxylic acid with tert-Bu [2-amino-4-(thiophen-2-yl)phenyl]carbamate and deprotection of the intermediate formed to give II. II had IC50 values between 1.1 and 5 μM in assays measuring HDAC1 and HDAC3 inhibition and between .11 and 1 μM in an HDA2 inhibition assay following a trypsin-coupled protocol. The experimental process involved the reaction of 6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine hydrochloride(cas: 1187830-46-1).Reference of 6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine hydrochloride

The Article related to preparation heterocyclic ph carboxamide compound inhibitor histone deacetylase therapy, Benzene, Its Derivatives, and Condensed Benzenoid Compounds: Amides, Amidines, Imidic Esters, Hydrazides, and Hydrazonic Esters and other aspects.Reference of 6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine hydrochloride

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Wolf, Thomas J. A.; Paul, Alexander C.; Folkestad, Sarai D.; Myhre, Rolf H.; Cryan, James P.; Berrah, Nora; Bucksbaum, Phil H.; Coriani, Sonia; Coslovich, Giacomo; Feifel, Raimund; Martinez, Todd J.; Moeller, Stefan P.; Mucke, Melanie; Obaid, Razib; Plekan, Oksana; Squibb, Richard J.; Koch, Henrik; Guhr, Markus published an article in 2021, the title of the article was Transient resonant Auger-Meitner spectra of photoexcited thymine.Recommanded Product: 65-71-4 And the article contains the following content:

We present the first investigation of excited state dynamics by resonant Auger-Meitner spectroscopy (also known as resonant Auger spectroscopy) using the nucleobase thymine as an example. Thymine is photoexcited in the UV and probed with X-ray photon energies at and below the oxygen K-edge. After initial photoexcitation to a ππ* excited state, thymine is known to undergo internal conversion to an nπ* excited state with a strong resonance at the oxygen K-edge, red-shifted from the ground state π* resonances of thymine (see our previous study Wolf, et al., Nat. Commun., 2017, 8, 29). We resolve and compare the Auger-Meitner electron spectra associated both with the excited state and ground state resonances, and distinguish participator and spectator decay contributions. Furthermore, we observe simultaneously with the decay of the nπ* state signatures the appearance of addnl. resonant Auger-Meitner contributions at photon energies between the nπ* state and the ground state resonances. We assign these contributions to population transfer from the nπ* state to a ππ* triplet state via intersystem crossing on the picosecond timescale based on simulations of the X-ray absorption spectra in the vibrationally hot triplet state. Moreover, we identify signatures from the initially excited ππ* singlet state which we have not observed in our previous study. The experimental process involved the reaction of 5-Methylpyrimidine-2,4(1H,3H)-dione(cas: 65-71-4).Recommanded Product: 65-71-4

The Article related to thymine photoexcitation auger photoelectron spectra, Physical Organic Chemistry: Resonance Spectra (Electron Spin, Nuclear Magnetic and Fourier Transform Nuclear Magnetic, Quadrupole, etc.) and other aspects.Recommanded Product: 65-71-4

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On February 28, 1983, Baram, S. G.; Shkurko, O. P.; Mamaev, V. P. published an article.Recommanded Product: 85386-20-5 The title of the article was Determination of substituent constants of p-substituted 2- and 5-pyrimidine groups using carbon-13 NMR. And the article contained the following:

The 13C NMR chem. shifts of I and II (R = H, Cl, MeO, NH2, Me2N, CO2Et, cyano) were used to calculate the inductive and resonance substituent constants of these 5-substituted 2-pyrimidyl and 2-substituted 5-pyrimidyl groups. Equations were obtained for the calculation of substituent constants for any 5(or 2)-substituted 2(or 5)-pyrimidyl groups. The experimental process involved the reaction of 5-Phenylpyrimidine-2-carboxylic acid(cas: 85386-20-5).Recommanded Product: 85386-20-5

The Article related to nmr carbon phenylpyrimidine lfer, pyrimidine phenyl nmr carbon, substituent constant monosubstituted pyrimidyl group, Physical Organic Chemistry: Resonance Spectra (Electron Spin, Nuclear Magnetic and Fourier Transform Nuclear Magnetic, Quadrupole, etc.) and other aspects.Recommanded Product: 85386-20-5

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On April 8, 2021, Folmer, Rutger; Hekking, Koen F. W.; Calpe, Blaise; Mueller, Gerhard; Fabritius, Charles-Henry published a patent.HPLC of Formula: 89792-07-4 The title of the patent was Azaindole derivatives and related compounds as inhibitors of dual specificity tyrosine phosphorylation regulated kinase 1B and their preparation. And the patent contained the following:

The invention relates to compounds of formula I, optionally in the form of a pharmaceutically acceptable salt, solvate, cocrystal, tautomer, racemate, enantiomer, or diastereomer or mixture thereof, in particular for use in the treatment, amelioration or prevention of cancer, Alzheimer, Parkinson, Down syndrome, metabolic syndrome, diabetes and/or osteoarthritis. Compounds of formula I wherein X1 is N, CH and CF; X2 = N, CH and CR1; each R2 is independently H and R1; Y1 is S and O; Y2 is C, CN, CMe, CCl and CF; Y3 is N, CH and CR1; A is (un)substituted (mono/bi/tri)cyclic heterocyclyl; R1 is (un)substituted C1-6 alkyl, halo, CN, NO2, etc.; and pharmaceutically acceptable salts, solvates, cocrystals, tautomers, racemates, enantiomers, diastereomers and mixtures thereof, are claimed. Example compound II was prepared by cyclization of 2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethan-1-one with 1H-imidazole-4-carbothioamide. The invention compounds were evaluated for their DYRK1B inhibitory activity. From the assay it was determined that compound II exhibited IC50 value in the range of 10 nM to < 100 nM. The experimental process involved the reaction of 2-Methyl-7H-pyrrolo[2,3-d]pyrimidine(cas: 89792-07-4).HPLC of Formula: 89792-07-4

The Article related to azaindole preparation dyrk1b inhibitor, Heterocyclic Compounds (More Than One Hetero Atom): Fused-Ring Systems With Two Or More Hetero Atoms, No More Than One Hetero Atom Per Ring and other aspects.HPLC of Formula: 89792-07-4

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On March 18, 2021, Minchinton, Andrew Ivor; Kyle, Alastair Hugh; Evans, James; Mann, Samuel Edward; Hynd, George published a patent.SDS of cas: 944129-00-4 The title of the patent was 1,6-Naphthridine derivatives as DNA-PK inhibiting compounds and prodrugs. And the patent contained the following:

The present disclosure relates to DNA-PK inhibiting compounds of formula I and prodrugs thereof that are useful in the treatment of diseases, including cancer, by sensitizing cancers to therapies such as chemotherapy and radiotherapy and the preparation of such compounds Compound I, wherein Y is O and NR5; each R1 is independently C1-6 alkyl and C1-6 haloalkyl; R2 is H, C1-6 alkyl, C1-6 haloalkyl, etc.; each R3 is independently halo, cyano, C1-6 alkyl, R4 is L1L2R9a, etc.; R5 is independently H, C1-6 alkyl, etc.; L1 is independently absent and (un)substituted C1-6 alkylene; L2 is absent and L3L4; L3 is (un)substituted C1-6 alkylene, (un)substituted C3-6 cycloalkyl, (un)substituted 3- to 11-membered heterocycloalkyl, etc.; L4 is absent, NR13a and O; R9a are Ph, naphthyl, 3- to 8-membered heterocycloalkyl, etc.; R13a is H and C1-6 alkyl; n is 0, 1, 2 and 3; m is 0, 1, 2, 3 and 4; and prodrug, pharmaceutically acceptable salts and N-oxide of compound I and prodrug thereof, are claimed. Compound II was prepared using a multistep procedure (procedure given). Compound II was evaluated for DNA-PK inhibition yielding an IC50 of 82 nM using ADP-Glo and 832 nM using MSD FaDu. The experimental process involved the reaction of Methyl 6-amino-2-chloropyrimidine-4-carboxylate(cas: 944129-00-4).SDS of cas: 944129-00-4

The Article related to naphthridine preparation dna pk inhibition cancer, Heterocyclic Compounds (More Than One Hetero Atom): Fused-Ring Systems With Two Or More Hetero Atoms, No More Than One Hetero Atom Per Ring and other aspects.SDS of cas: 944129-00-4

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On September 15, 2022, Arns, Stephen Paul; Hsieh, Tom Han Hsiao; Shidmoossavee, Fahimeh S.; Tan, Jason Samuel; Yee, Leanna; Paquette, Jay John; Jaquith, James Brian; Osborne, Simon; Smiljanic-Hurley, Ela; Hamby, Callum; Smyth, Elliott; Ambler, Martin; Minchinton, Andrew I.; Kyle, Alastair H.; Baker, Jennifer H. E. published a patent.Recommanded Product: 596114-50-0 The title of the patent was Preparation of 7-morpholino-1,6-naphthyridin-5-yl derivatives and use thereof as DNA-PK inhibitors. And the patent contained the following:

The present disclosure provides compounds of formula I and methods for inhibiting DNA-dependent protein kinase (DNA-PK). Aspects of the present disclosure also include methods of using the compounds to treat diseases, including, but not limited to, cancer. Compounds of formula I wherein R1a is H and C1-6 alkyl; R1b is C1-6 alkyl, C3-8 cycloalkyl, 3-8 heterocycloalkyl, etc.; R2 is halo, cyano, C1-6 alkyl, etc.; R3 is H, halo, C1-6 alkyl and C1-6 haloalkyl; R4 is C1-6 alkyl and C1-6 haloalkyl; and their pharmaceutically acceptable salts, are claimed. Example compound II was prepared by a multistep procedure (procedure given). The invention compounds were evaluated for their DNA-PK inhibitory activity (data given). The experimental process involved the reaction of 2-Chloro-5-isopropylpyrimidine(cas: 596114-50-0).Recommanded Product: 596114-50-0

The Article related to morpholino naphthyridinyl preparation dna protein kinase inhibitor, Heterocyclic Compounds (More Than One Hetero Atom): Fused-Ring Systems With Two Or More Hetero Atoms, No More Than One Hetero Atom Per Ring and other aspects.Recommanded Product: 596114-50-0

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia