Tag: M.W=150-200

Toledo-Sherman, Leticia M.; Prime, Michael E.; Mrzljak, Ladislav; Beconi, Maria G.; Beresford, Alan; Brookfield, Frederick A.; Brown, Christopher J.; Cardaun, Isabell; Courtney, Stephen M.; Dijkman, Ulrike; Hamelin-Flegg, Estelle; Johnson, Peter D.; Kempf, Valerie; Lyons, Kathy; Matthews, Kimberly; Mitchell, William L.; O’Connell, Catherine; Pena, Paula; Powell, Kendall; Rassoulpour, Arash; Reed, Laura; Reindl, Wolfgang; Selvaratnam, Suganathan; Friley, Weslyn Ward; Weddell, Derek A.; Went, Naomi E.; Wheelan, Patricia; Winkler, Christin; Winkler, Dirk; Wityak, John; Yarnold, Christopher J.; Yates, Dawn; Munoz-Sanjuan, Ignacio; Dominguez, Celia published the artcile< Development of a Series of Aryl Pyrimidine Kynurenine Monooxygenase Inhibitors as Potential Therapeutic Agents for the Treatment of Huntington's Disease>, Formula: C5H4Cl2N2O, the main research area is arylpyrimidine kynurenine monooxygenase inhibitor preparation SAR Huntingtons disease.

We report on the development of a series of pyrimidine carboxylic acids that are potent and selective inhibitors of kynurenine monooxygenase and competitive for kynurenine. We describe the SAR for this novel series and report on their inhibition of KMO activity in biochem. and cellular assays and their selectivity against other kynurenine pathway enzymes. We describe the optimization process that led to the identification of a program lead compound with a suitable ADME/PK profile for therapeutic development. We demonstrate that systemic inhibition of KMO in vivo with this lead compound provides pharmacodynamic evidence for modulation of kynurenine pathway metabolites both in the periphery and in the central nervous system.

Journal of Medicinal Chemistry published new progress about Central nervous system agents. 5018-38-2 belongs to class pyrimidines, and the molecular formula is C5H4Cl2N2O, Formula: C5H4Cl2N2O.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Rai, Roopali; Pandey, Pramod S. published the artcile< Comparative binding study of steroidal adenine with flavin and uracil derivatives>, Product Details of C4H4N2O5, the main research area is steroidal adenine flavin uracil derivative preparation.

A comparative binding study of a steroidal adenine derivative based on lithocholic acid with N10-benzylisoalloxazine (flavin) and N1-iso-propyluracil has been described.

Bioorganic & Medicinal Chemistry Letters published new progress about Drug design. 2244-11-3 belongs to class pyrimidines, and the molecular formula is C4H4N2O5, Product Details of C4H4N2O5.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Sanemitsu, Yuzuru; Nakayama, Yoshinori; Tanabe, Yoo; Matsumoto, Hiroshi; Hashimoto, Shunichi published the artcile< 5-Substituted amino-3,6-dichloro-1,2,4-triazines as new potential herbicides>, Safety of 6-Bromo-1,2,4-triazine-3,5(2H,4H)-dione, the main research area is herbicide triazine structure activity.

5-Substituted 3,6-dichloro-1,2,4-triazines were tested for their preemergent herbicidal activity against 3 weeds, Echinochloa crus-galli, Scirpus juncoides, and Eleocharia acicularis. The activity was related to the structure, e.g., 5-tert-butylamino- and 5-anilino-3,6-dichloro-1,2,4-triazine derivatives exhibited strong herbicidal activity, whereas, Me, OMe, PhO at the 5-position decreased the activity. Also, derivatives with substitution at the 3- and/or 6-position failed to product activity. 5-Diisopropylamino- and 2,6-dimethylpiperidino-1,2,4-triazines were selected as promising new herbicides.

Agricultural and Biological Chemistry published new progress about Echinochloa crus-galli. 4956-05-2 belongs to class pyrimidines, and the molecular formula is C3H2BrN3O2, Safety of 6-Bromo-1,2,4-triazine-3,5(2H,4H)-dione.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Lebraud, Honorine; Wright, David J.; East, Charlotte E.; Holding, Finn P.; O’Reilly, Marc; Heightman, Tom D. published the artcile< In-gel activity-based protein profiling of a clickable covalent ERK1/2 inhibitor>, Name: 4,5-Dichloro-2-(methylthio)pyrimidine, the main research area is in gel activity based protein profiling ERK1 ERK2.

In-gel activity-based protein profiling (ABPP) offers rapid assessment of the proteome-wide selectivity and target engagement of a chem. tool. Here we demonstrate the use of the inverse electron demand Diels Alder (IEDDA) click reaction for in-gel ABPP by evaluating the selectivity profile and target engagement of a covalent ERK1/2 probe tagged with a trans-cyclooctene group. The chem. probe was shown to bind covalently to Cys166 of ERK2 using protein MS and X-ray crystallog., and displayed submicromolar GI50s in A375 and HCT116 cells. In both cell lines, the probe demonstrated target engagement and a good selectivity profile at low concentrations, which was lost at higher concentrations The IEDDA cycloaddition enabled fast and quant. fluorescent tagging for readout with a high background-to-noise ratio and thereby provides a promising alternative to the commonly used copper catalyzed alkyne-azide cycloaddition

Molecular BioSystems published new progress about Click chemistry. 99469-85-9 belongs to class pyrimidines, and the molecular formula is C5H4Cl2N2S, Name: 4,5-Dichloro-2-(methylthio)pyrimidine.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Purkayastha, Subhasish; Lazrek, Bihi H.; Panzica, Raymond P.; Naguib, Fardos N. M.; El Kouni, Mahmoud H. published the artcile< as-Triazine acyclonucleosides: potential inhibitors of pyrimidine enzymes>, Synthetic Route of 4956-05-2, the main research area is triazine acyclonucleoside; nucleoside acyclo triazine; pyrimidine enzyme inhibitor acyclonucleoside.

Seven as-triazine-3,5-dione acyclonucleosides I (R = Ac, H, R1 = SCH2Ph, Br, H; R = H, R1 = NH2) were prepared starting with the alkylation of the corresponding O-trimethylsilylated as-triazine-3,5-diones with AcOCH2CH2OCH2Br. I were evaluated as inhibitors of orotate phosphoribosyltransferase (OPRTase, EC 2.4.2.10), orotidine 5′-monophosphate decarboxylase (ODCase, EC 4.1.2.23), uridine phosphorylase (UrdPase, EC 2.4.2.3), and thymidine phosphorylase (dThdPase, EC 2.4.2.4). I did not inhibit any of these enzymes.

Nucleosides & Nucleotides published new progress about 4956-05-2. 4956-05-2 belongs to class pyrimidines, and the molecular formula is C3H2BrN3O2, Synthetic Route of 4956-05-2.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Riederer, Heinz; Huettermann, Juergen; Symons, Martyn C. R. published the artcile< Matrix-isolation of free radicals from 5-halouracils. 2. Electron spin resonance of hydrogen atom reactions in acidic glasses>, Electric Literature of 4956-05-2, the main research area is hydrogen atom nucleic acid constituent; nucleoside hydrogen atom; nucleotide hydrogen atom; uracil hydrogen atom; ESR nucleic acid constituent; radical nucleic acid constituent.

The reaction of H· atoms produced in acidic glasses (H2SO4 and H3PO4) by radiolysis and photolysis with the nucleic acid constituents by uracil, thymine, and the row of 5-halo-substituted uracils as well as their nucleoside (nucleotide) derivatives and deoxyribose were studied by ESR spectroscopy. With the pyrimidines, addition at either site of the 5,6 double bond was the only reaction, the relative yield of 5-yl or 6-yl radicals depending largely on the nature of the nonhydrogen 5 or 6 substituent. The spectral parameters of both radical types were determined by spectra simulation. In deoxyribose, abstraction of a carbon-bound hydrogen takes place from probably only 2 initial sites, the corresponding radicals undergoing a fast and a slow secondary reaction. In nucleosides (nucleotides), the base and deoxyribose (deoxyribose phosphate) moiety react independently. The relative yield of both subgroup radicals was determined and explained in terms of a “”miss or react”” mechanism. The findings are discussed in terms of solid-state vs. liquid solution type reaction mechanisms.

Journal of Physical Chemistry published new progress about ESR (electron spin resonance). 4956-05-2 belongs to class pyrimidines, and the molecular formula is C3H2BrN3O2, Electric Literature of 4956-05-2.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Prier, Christopher K.; MacMillan, David W. C. published the artcile< Amine α-heteroarylation via photoredox catalysis: a homolytic aromatic substitution pathway>, Related Products of 89793-12-4, the main research area is alpha heteroaryl amine regioselective preparation photoredox; tertiary amine heteroarene heteroarylation iridium.

The direct α-heteroarylation of tertiary amines has been accomplished via photoredox catalysis to generate valuable benzylic amine pharmacophores. A variety of five- and six-membered chloroheteroarenes are shown to function as viable coupling partners for the α-arylation of a diverse range of cyclic and acyclic amines. Evidence is provided for a homolytic aromatic substitution mechanism, in which a catalytically-generated α-amino radical undergoes direct addition to an electrophilic chloroarene.

Chemical Science published new progress about Aromatic heterocyclic amines Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation) (α-). 89793-12-4 belongs to class pyrimidines, and the molecular formula is C7H7ClN2O2, Related Products of 89793-12-4.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Li, Jian-Yuan; Miklossy, Gabriella; Modukuri, Ram K.; Bohren, Kurt M.; Yu, Zhifeng; Palaniappan, Murugesan; Faver, John C.; Riehle, Kevin; Matzuk, Martin M.; Simmons, Nicholas published the artcile< Palladium-Catalyzed Hydroxycarbonylation of (Hetero)aryl Halides for DNA-Encoded Chemical Library Synthesis>, Application of C5H4Cl2N2O, 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. 5018-38-2 belongs to class pyrimidines, and the molecular formula is C5H4Cl2N2O, Application of C5H4Cl2N2O.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Solberg, Jan; Undheim, Kjell published the artcile< Palladium catalysis in the preparation of alkynylpyrimidines>, Related Products of 99469-85-9, the main research area is iodopyrimidine alkyne coupling; palladium complex catalyst coupling; alkynylpyrimidine; pyrimidine alkynyl.

Coupling reaction of iodopyrimidines I (R = SMe, OSiMe3; R1 = iodo) with R2CCH (e.g., R2 = Ph, Bu) using Pd catalysts gave alkynylpyrimidines I (R1 = CCR2). Hydrolysis of I (R = OSiMe3, R1 = CCR2) with H2O at room temperature gave pyrimidinones II. m-ClC6H4C(O)OOH oxidn of I (R = SMe, R1 = CCR2) gave I (R = SO2Me). I (R = SO2Me, R1 = CCPh) on alk. hydrolysis gave II (R2 = Ph).

Acta Chemica Scandinavica, Series B: Organic Chemistry and Biochemistry published new progress about Coupling reaction. 99469-85-9 belongs to class pyrimidines, and the molecular formula is C5H4Cl2N2S, Related Products of 99469-85-9.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Takamatsu, Kayo; Takano, Atsushi; Yakushiji, Nobumasa; Morohashi, Kazunori; Morishita, Kenichi; Matsuura, Nobuyasu; Makishima, Makoto; Tai, Akihiro; Sasaki, Kenji; Kakuta, Hiroki published the artcile< The first potent subtype-selective retinoid X receptor (RXR) agonist possessing a 3-isopropoxy-4-isopropylphenylamino moiety, NEt-3IP (RXRα/β-dual agonist)>, Related Products of 89793-12-4, the main research area is isopropoxy isopropylphenylamino derivative preparation structure retinoid X receptor agonist.

Retinoid X receptor (RXR) agonists (rexinoids) are attracting much attention for their use in treatment of cancers, including tamoxifen-resistant breast cancer and taxol-resistant lung cancer, and metabolic disease. However, known RXR agonists have a highly lipophilic character. In addition, no subtype-selective RXR agonists have been found. The authors previously reported an RXRα-preferential agonist 4-[N-methanesulfonyl-N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthyl) amino]benzoic acid. The RXR agonistic activity is much less than that of well-known RXR agonists. To develop potent, less-lipophilic, and subtype-selective RXR agonists, the authors created new RXR agonists possessing alkoxy and iso-Pr groups as a lipophilic domain of the common structure of well-known RXR agonists. As a result, compounds possessing branched alkoxy groups (I) and (II), showed RXR agonistic activity as potent as, or more potent than, the activities of representative RXR agonists. Moreover, I was the first RXRα/β-selective (or RXRα/β-dual) agonist. Being potent, less lipophilic, and having RXR subtype-selective activity, NEt-3IP I is expected to become a new drug candidate and to be a useful biol. tool for clarifying each RXR subtype function.

ChemMedChem published new progress about Retinoid X receptor α Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 89793-12-4 belongs to class pyrimidines, and the molecular formula is C7H7ClN2O2, Related Products of 89793-12-4.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia