Pyrimidines

Fedotov, Daniil A.; Paul, Alexander C.; Koch, Henrik; Santoro, Fabrizio; Coriani, Sonia; Improta, Roberto published an article in 2022, the title of the article was Excited state absorption of DNA bases in the gas phase and in chloroform solution: a comparative quantum mechanical study.Product Details of 65-71-4 And the article contains the following content:

We study the excited state absorption (ESA) properties of the four DNA bases (thymine, cytosine, adenine, and guanine) by different single reference quantum mech. methods, namely, equation of motion coupled cluster singles and doubles (EOM-CCSD), singles, doubles and perturbative triples (EOM-CC3), and time-dependent d. functional theory (TD-DFT), with the long-range corrected CAM-B3LYP functional. Preliminary results at the Tamm-Dancoff (TDA) CAM-B3LYP level using the maximum overlap method (MOM) are reported for thymine. In the gas phase, the three methods predict similar One Photon Absorption (OPA) spectra, which are consistent with the exptl. results and with the most accurate computational studies available in the literature. The ESA spectra are then computed for the ππ* states (one for pyrimidine, two for purines) associated with the lowest-energy absorption band, and for the close-lying nπ* state. The EOM-CC3, EOM-CCSD and CAM-B3LYP methods provide similar ESA spectral patterns, which are also in qual. agreement with literature RASPT2 results. Once validated in the gas phase, TD-CAM-B3LYP has been used to compute the ESA in chloroform, including solvent effects by the polarizable continuum model (PCM). The predicted OPA and ESA spectra in chloroform are very similar to those in the gas phase, most of the bands shifting by less than 0.1 eV, with a small increase of the intensities and a moderate destabilization of the nπ* state. Finally, ESA spectra have been computed from the min. of the lowest energy ππ* state, and found in line with the available exptl. transient absorption spectra of the nucleosides in solution, providing further validation of our computational approach. The experimental process involved the reaction of 5-Methylpyrimidine-2,4(1H,3H)-dione(cas: 65-71-4).Product Details of 65-71-4

The Article related to thymine cytosine nucleobase excited state absorption transient spectra, Physical Organic Chemistry: Other Reactions, Processes, and Spectra and other aspects.Product Details of 65-71-4

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On October 15, 2016, Hu, Yanjing; Hu, Hanbin; Li, Yingying; Chen, Ruixin; Yang, Yu; Wang, Lei published an article.HPLC of Formula: 626-48-2 The title of the article was Supramolecular assemblies of tetrafluoroterephthalic acid and N-heterocycles via various strong hydrogen bonds and weak C-H···F interactions: Synthons cooperation, robust motifs and structural diversity. And the article contained the following:

A series of organic solid states including three salts, two co-crystals, and three hydrates based on tetrafluoroterephthalic acid (H2tfBDC) and N-bearing ligands (2,4-(1H,3H)-pyrimidine dione (PID), 2,4-dihydroxy-6-Me pyrimidine (DHMPI), 2-amino-4,6-dimethyl pyrimidine (ADMPI), 2-amino-4,6-dimenthoxy pyrimidine (ADMOPI), 5,6-dimenthyl benzimidazole (DMBI), 2-aminobenzimidazole (ABI), 3,5-di-Me pyrazole (DMP), and 3-cyanopyridine (3-CNpy)), namely, [(PID)2·(H2tfBDC)] (1), [(DHMPI)2·(H2tfBDC)] (2), [(H-ADMPI+)2·(tfBDC2-)·2(H2O)] (3), [(H-ADMOPI+)2·(tfBDC2-)·(H2O)] (4), [(H-DMBI+)2·(tfBDC2-)·2(H2O)] (5), [(H-ABI+)2·(tfBDC2-)] (6), [(H-DMP+)·(HtfBDC-)] (7), and [(H-3-CNpy+)·(HtfBDC-)] (8), were synthesized by solvent evaporation method. Crystal structures analyses show that the F atom of the H2tfBDC participates in multiple C-H···F hydrogen bond formations, producing different supramol. synthons. The weak hydrogen bonding C-H···F and N-H···F play an important part in constructing the diversity structures 2-8, except in crystal 1. In complexes 1-3, they present the same synthon R22(8) with different N-heterocyclic compounds, which may show the strategy in constructing the supramol. Meanwhile, the complex 3 exhibits a 2D layer, and the independent mols. of water exist in the adjacent layers. In complexes 4 and 5, the water mols. connect the neighboring layers to form 3D network by strong O-H···O hydrogen bonding. These crystals 1-8 were fully characterized by single-crystal X-ray crystallog., elemental anal., IR spectroscopy (IR), and thermogravimetric anal. (TGA). The experimental process involved the reaction of 6-Methylpyrimidine-2,4(1H,3H)-dione(cas: 626-48-2).HPLC of Formula: 626-48-2

The Article related to supramol assemble tetrafluoroterephthalic acid nitrogen heterocycle hydrogen bond tga, Physical Organic Chemistry: Other Reactions, Processes, and Spectra and other aspects.HPLC of Formula: 626-48-2

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Mattelaer, H.-P.; Mattelaer, C.-A.; Papastavrou, N.; Dehaen, W.; Herdewijn, P. published an article in 2017, the title of the article was Oligonucleotide promoted peptide bond formation using a tRNA mimicking approach.Computed Properties of 4433-40-3 And the article contains the following content:

TransferRNA’s role in protein translation is the prime example of an Informational Leaving Group (ILG). A simplified model produced oligophenylalanine with a modified uracil as an ILG in the presence of specific oligonucleotides. Our preliminary studies contribute to the importance of hybrid species in bridging the gap between peptides and nucleic acids. The experimental process involved the reaction of 5-(Hydroxymethyl)pyrimidine-2,4(1H,3H)-dione(cas: 4433-40-3).Computed Properties of 4433-40-3

The Article related to peptide bond formation informational leaving group oligonucleotide photolysis, oligophenylalanine uracil synthesis hybrid species aminolysis kinetics ph peptidomimetic, Amino Acids, Peptides, and Proteins: Poly(Amino Acids) and Peptides and other aspects.Computed Properties of 4433-40-3

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On January 31, 2017, Wakiyama, Yoshinari; Kumura, Ko; Umemura, Eijiro; Masaki, Satomi; Ueda, Kazutaka; Sato, Yasuo; Watanabe, Takashi; Hirai, Yoko; Ajito, Keiichi published an article.Category: pyrimidines The title of the article was Synthesis and structure-activity relationships of novel lincomycin derivatives part 3: discovery of the 4-(pyrimidin-5-yl)phenyl group in synthesis of 7(S)-thiolincomycin analogs. And the article contained the following:

Novel lincomycin derivatives possessing an aryl Ph group or a heteroaryl Ph group at the C-7 position via sulfur atom were synthesized by Pd-catalyzed cross-coupling reactions of 7(S)-7-deoxy-7-thiolincomycin with various aryl halides. This reaction is the most useful method to synthesize a variety of 7(S)-7-deoxy-7-thiolincomycin derivatives On the basis of anal. of structure-activity relationships of these novel lincomycin derivatives, the authors found that (a) the location of basicity in the C-7 side chain was an important factor to enhance antibacterial activities, and (b) compounds 22, 36, 42, 43 and 44 had potent antibacterial activities against a variety of Streptococcus pneumoniae with erm gene, which cause severe respiratory infections, even compared with the authors’ C-7-modified lincomycin analogs (1-4) reported previously. Furthermore, 7(S)-configuration was found to be necessary for enhancing antibacterial activities from comparison of configurations at the 7-position of 36 (S-configuration) and 41 (R-configuration). The experimental process involved the reaction of 5-(4-Bromophenyl)pyrimidine(cas: 160377-42-4).Category: pyrimidines

The Article related to structure activity lincomycin derivative, Microbial, Algal, and Fungal Biochemistry: Antimicrobial Sensitivity and other aspects.Category: pyrimidines

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On August 31, 2017, Wakiyama, Yoshinari; Kumura, Ko; Umemura, Eijiro; Ueda, Kazutaka; Watanabe, Takashi; Yamada, Keiko; Okutomi, Takafumi; Ajito, Keiichi published an article.Application of 160377-42-4 The title of the article was Synthesis and structure-activity relationships of novel lincomycin derivatives. Part 4: synthesis of novel lincomycin analogs modified at the 6- and 7-positions and their potent antibacterial activities. And the article contained the following:

To modify lincomycin (LCM) at the C-6 and the C-7 positions, we firstly prepared various substituted proline intermediates (7, 11-15 and 17). These proline intermediates were coupled with Me 1-thio-α-lincosamide and tetrakis-O-trimethylsilylation followed by selective deprotection of the TMS group at the 7-position gave a wide variety of key intermediates (23-27, 47 and 50). Then, we synthesized a variety of novel LCM analogs modified at the 7-position in application of the Mitsunobu reaction, an SN2 reaction, and a Pd-catalyzed cross-coupling reaction. Compounds 34 and 35 (1′-NH derivatives) exhibited enhanced antibacterial activities against resistant pathogens with erm gene compared with the corresponding 1′-N-Me derivatives (3 and 37). On the basis of reported SAR, we modified the 4′-position of LCM derivatives possessing a 5-(2-nitrophenyl)-1,3,4-thiadiazol-2-yl group at the C-7 position. Compound 56 showed significantly potent antibacterial activities against S. pneumoniae and S. pyogenes with erm gene, and its activities against S. pneumoniae with erm gene were improved compared with those of 34 and 57. Although we synthesized novel analogs by transformation of a C-7 substituent focusing on the 1′-demethyl framework to prepare very potent analogs 73 and 75, it was impossible to generate novel derivatives exhibiting stronger antibacterial activities against S. pneumoniae with erm gene compared with 56. The experimental process involved the reaction of 5-(4-Bromophenyl)pyrimidine(cas: 160377-42-4).Application of 160377-42-4

The Article related to lincomycin derivative analog antibacterial activity, Microbial, Algal, and Fungal Biochemistry: Antimicrobial Sensitivity and other aspects.Application of 160377-42-4

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On April 1, 2021, Liu, Xiangyong; Qiu, Changyong; Sheng, Haitong; Liu, Mengqiang; Shen, Qichao; Du, Guolong; Song, Xiaodong; Ding, Lieming; Wang, Jiabing published a patent.Related Products of 596114-50-0 The title of the patent was Egfr inhibitor, composition and preparation method therefor. And the patent contained the following:

A compound of formula I, a method for using these compounds as an EGFR inhibitor, and a pharmaceutical composition comprising these compounds The compound was used in the treatment, prevention or amelioration of diseases or conditions such as cancer or infection. The experimental process involved the reaction of 2-Chloro-5-isopropylpyrimidine(cas: 596114-50-0).Related Products of 596114-50-0

The Article related to heterocyclic phosphine oxide preparation egfr inhibitor, antitumor activity heterocyclic phosphine oxide, Organometallic and Organometalloidal Compounds: Phosphorus Compounds and other aspects.Related Products of 596114-50-0

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On December 31, 2020, Hua, Yan; Cao, Heqin; Wang, Jiao; He, Fengping; Jiang, Guangshun published an article.SDS of cas: 4433-40-3 The title of the article was Gut microbiota and fecal metabolites in captive and wild North China leopard (Panthera pardus japonensis) by comparsion using 16 s rRNA gene sequencing and LC/MS-based metabolomics. And the article contained the following:

Gut microbes significantly contribute to nutrient digestion and absorption, intestinal health and immunity, and are essential for the survival and environmental adaptation of wild animals. However, there are few studies on the gut microbiota of captive and wild North China leopard (Panthera pardus japonensis). A total of 10 mainly bacterial phyla were identified in the fecal microbiota of North China leopard, Lachnoclostridium (p = 0.003), Peptoclostridium (p = 0.005), Bacteroides (p = 0.008), Fusobacterium (p = 0.017) and Collinsella (p = 0.019) were significantly higher than those of wild North China leopard. Distinct differences in the fecal metabolic phenotypes of captive and wild North China leopard were found, such as content of l-methionine, n-acetyl-l-tyrosine, pentadecanoic acid and oleic acid. Differentially abundant gut microbes were associated with fecal metabolites, especially the bacteria in Firmicutes and Bacteroidetes, involved in the metabolism of N-acetyl-L-alanine and D-quinovose. This study reports for the first time the differences in gut microbiota abundance between captive and wild North China leopard, as well as significant differences in fecal metabolic phenotypes between two groups. The experimental process involved the reaction of 5-(Hydroxymethyl)pyrimidine-2,4(1H,3H)-dione(cas: 4433-40-3).SDS of cas: 4433-40-3

The Article related to gut microbiota fecal metabolite panthera pardus rrna gene metabolomics, 16s rrna gene sequencing, fecal metabolites, north china leopard, gut microbiota, metabolomics, Microbial, Algal, and Fungal Biochemistry: Antimicrobial Sensitivity and other aspects.SDS of cas: 4433-40-3

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On June 25, 2009, Goldfarb, David Scott published a patent.Quality Control of 5-Phenylpyrimidine-2-carboxylic acid The title of the patent was Method using lifespan-altering compounds for altering the lifespan of eukaryotic organisms, and screening for such compounds. And the patent contained the following:

The invention discloses a method for altering the lifespan of a eukaryotic organism. The method comprises the steps of providing a lifespan-altering compound, and administering an effective amount of the compound to a eukaryotic organism, such that the lifespan of the organism is altered. In one embodiment, the compound is identified using the DeaD assay. The experimental process involved the reaction of 5-Phenylpyrimidine-2-carboxylic acid(cas: 85386-20-5).Quality Control of 5-Phenylpyrimidine-2-carboxylic acid

The Article related to lifespan alteration compound screening dead assay, Pharmacology: Other (All Agents and Effects Not Otherwise Assignable) and other aspects.Quality Control of 5-Phenylpyrimidine-2-carboxylic acid

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On July 28, 2011, Eidam, Hilary Schneck; Fox, Ryan Michael published a patent.Safety of 5-Phenylpyrimidine-2-carboxylic acid The title of the patent was TRPV4 antagonists as pharmaceutical agents. And the patent contained the following:

The invention discloses indole or benzothiophene analogs I [R1= C1-3 alkyl, C1-3 alkoxy, CF3, halo, etc.; R2= C1-4 alkyl, CH2C3-6 cycloalkyl, CH2Ph; R3= (un)substituted pyrrole, (un)substituted pyridazine, (un)substituted imidazole, (un)substituted indole, etc.; X= bond, CH2; Y= NR4, S; R4= H, C1-3 alkyl; R5= H, C1-5 alkyl; G= (un)substituted heterocycle, (un)substituted cyclopentyl, (un)substituted cyclohexyl, etc.; i= 0,1,2,3], pharmaceutical compositions containing them and their use as TRPV4 antagonists. The experimental process involved the reaction of 5-Phenylpyrimidine-2-carboxylic acid(cas: 85386-20-5).Safety of 5-Phenylpyrimidine-2-carboxylic acid

The Article related to trpv4 antagonist indole benzothiophene derivative pharmaceutical agent, Pharmacology: Other (All Agents and Effects Not Otherwise Assignable) and other aspects.Safety of 5-Phenylpyrimidine-2-carboxylic acid

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Semenov, Vyacheslav E.; Giniyatullin, Rashit Kh.; Lushchekina, Sofya V.; Kots, Ekaterina D.; Petrov, Konstantin A.; Nikitashina, Alexandra D.; Minnekhanova, Oksana A.; Zobov, Vladimir V.; Nikolsky, Evgeny E.; Masson, Patrick; Reznik, Vladimir S. published an article in 2014, the title of the article was Macrocyclic derivatives of 6-methyluracil as ligands of the peripheral anionic site of acetylcholinesterase.Name: 6-Methylpyrimidine-2,4(1H,3H)-dione And the article contains the following content:

Novel pyrimidinophanes possessing two o-nitrobenzylethyldialkylammonium heads bridging with different spacers were prepared Pyrimidinophanes 2a, 2b and 3 are reversible inhibitors of cholinesterases. They show a very good selectivity for human acetylcholinesterase (AChE), with an inhibitory power 100-200 times higher than for human butyrylcholinesterase (BChE). Docking simulations indicate specific binding of pyrimidinophanes 2a and 4 onto the peripheral anionic site of AChE. Other compounds bind to the active center of AChE as well as to the peripheral anionic site. These compounds are dual binding site inhibitors. Pyrimidinophane 2b and its acyclic counterpart 1 were tested in the animal model of myasthenia gravis and may be considered as valuable candidates for the treatment of pathol. muscle weakness syndromes. The experimental process involved the reaction of 6-Methylpyrimidine-2,4(1H,3H)-dione(cas: 626-48-2).Name: 6-Methylpyrimidine-2,4(1H,3H)-dione

The Article related to macrocyclic derivative methyluracil ligand peripheral anionic site acetylcholinesterase, Pharmacology: Other (All Agents and Effects Not Otherwise Assignable) and other aspects.Name: 6-Methylpyrimidine-2,4(1H,3H)-dione

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia