Tag: M.W=150-200

Guan, Aiying; Zhao, Yu; Wang, Weiwei; Liu, Xinlei; Wang, Ming-an published the artcile< Synthesis and fungicidal activity of 3-Acetyl-4-phenyl-1-oxaspiro[4,5]dec-3-en-2-one derivatives>, COA of Formula: C5H4Cl2N2O, the main research area is fungicide acetyl phenyl oxaspiro decenone derivative synthesis.

The diversity-oriented synthesis strategy was utilized to diversely derive from the carbonyl of 3-acetyl-4-phenyl-1-oxaspiro[4,5]dec-3-en-2-one, a series of novel 3-acetyl-4-phenyl-1-oxaspiro[4,5]dec-3-en-2-one derivatives were synthesized. The preliminary in vivo and in vitro bioassay results showed that some compounds exhibited excellent fungicidal activity against phytopathagens, such as 3-allyloxyethyl-4-phenyl-1-oxaspiro[4,5]dec-3-en-2-one had 100% control rates against Pseudoperonospora cubensis and Puccinia polysora at the concentration of 400μg/mL.

Youji Huaxue published new progress about Agrochemical fungicides. 5018-38-2 belongs to class pyrimidines, and the molecular formula is C5H4Cl2N2O, COA of Formula: C5H4Cl2N2O.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Oka, Yoshimi; Shishino, Hisae published the artcile< Fluorescence Imaging of Disrupted Interfaces between Liquid-Ordered and Liquid-Disordered Domains by a Flavin-Labeled PNA Duplex>, Computed Properties of 2244-11-3, the main research area is fluorescence imaging interface liquid ordered disordered domain flavin PNA.

Lipid rafts and membrane-active peptides are attracting attention because they help understand basic membrane functions. In addition, the authors focus on flavoproteins playing some physiol. roles and explore the model compounds A new flavin probe, composed of palmitoylated peptide nucleic acid (PNA) and its complementary PNA labeled with flavin, targets the liquid-ordered (lo) microdomains and disrupts its interfaces to liquid-disordered (ld) microdomains of giant unilamellar vesicles and can be visualized by using confocal laser scanning microscopy. Surprisingly, as shown in time-lapse images, vesiculation and probe aggregations appear in the lo-ld interfaces, which leads to local disruption of the membrane. A possible interpretation of the data based on comparison with control experiments are discussed.

ACS Omega published new progress about Biological imaging. 2244-11-3 belongs to class pyrimidines, and the molecular formula is C4H4N2O5, Computed Properties of 2244-11-3.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Darout, Etzer; Robinson, Ralph P.; McClure, Kim F.; Corbett, Matthew; Li, Bryan; Shavnya, Andrei; Andrews, Melissa P.; Jones, Christopher S.; Li, Qifang; Minich, Martha L.; Mascitti, Vincent; Guimaraes, Cristiano R. W.; Munchhof, Michael J.; Bahnck, Kevin B.; Cai, Cuiman; Price, David A.; Liras, Spiros; Bonin, Paul D.; Cornelius, Peter; Wang, Ruduan; Bagdasarian, Victoria; Sobota, Colleen P.; Hornby, Sam; Masterson, Victoria M.; Joseph, Reena M.; Kalgutkar, Amit S.; Chen, Yue published the artcile< Design and Synthesis of Diazatricyclodecane Agonists of the G-Protein-Coupled Receptor 119>, Safety of 4,6-Dichloro-5-methoxypyrimidine, the main research area is diazatricyclodecane derivative preparation agonist G protein coupled receptor 119; Hofmann Loeffler Freytag reaction formation bicyclic framework; ligand lipophilic efficiency diazatricyclodecane.

A series of GPR119 agonists based on a 2,6-diazatricyclo[3.3.1.1∼3,7∼]decane ring system is described. Also provided is a detailed account of the development of a multigram scale synthesis of the diazatricyclic ring system, which was achieved using a Hofmann-Loeffler-Freytag reaction as the key step. The basis for the use of this complex framework lies in an attempt to constrain one end of the mol. in the “”agonist conformation”” as was previously described for 3-oxa-7-aza-bicyclo[3.3.1]nonanes. Optimization of carbamate analogs of the diazatricyclic compounds led to the identification of I as a potent agonist of the GPR119 receptor with low unbound human liver microsomal clearance. The use of an agonist response weighted ligand lipophilic efficiency (LLE) termed AgLLE is discussed along with the issues of applying efficiency measures to agonist programs. Ultimately, solubility limited absorption and poor exposure reduced further interest in these mols.

Journal of Medicinal Chemistry published new progress about Crystal structure. 5018-38-2 belongs to class pyrimidines, and the molecular formula is C5H4Cl2N2O, Safety of 4,6-Dichloro-5-methoxypyrimidine.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Seela, Frank; Soulimane, Tewfik; Mersmann, Karin; Juergens, Thomas published the artcile< 2,4-Disubstituted pyrrolo[2,3-d]pyrimidine α-D- and β-D-ribofuranosides related to 7-deazaguanosine>, Recommanded Product: 4-Methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine, the main research area is pyrrolopyrimidine stereoselective glycosidation ribofuranosyl chloride; deazaguanosine related pyrrolopyrimidine ribofuranoside; guanosine deaza related pyrrolopyrimidine ribofuranoside; nucleoside.

Nucleobase-anion glycosylation [KOH, (MeOCH2CH2OCH2CH2)3N] of the pyrrolo[2,3-d]pyrimidines I (R = Cl, OMe, R1 = NH2, SMe) with ribofuranosyl chlorides gave the corresponding protected β-D-nucleosides stereoselectively. Contrary, II (R2 = Cl, R3 = H) yielded the corresponding α-D-nucleosides apart from minor amounts of the β-D-anomers. The deprotected nucleosides III (R4 = Cl) were converted into 4-substituted 2-aminopyrrolo[2,3-d]-pyrimidine β-D-ribofuranosides e.g. III (R4 = H, NH2, OMe), and into their α-D-anomers, resp.

Helvetica Chimica Acta published new progress about Glycosylation, stereoselective. 84955-32-8 belongs to class pyrimidines, and the molecular formula is C7H8N4O, Recommanded Product: 4-Methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Ohta, Kiminori; Kawachi, Emiko; Inoue, Noriko; Fukasawa, Hiroshi; Hashimoto, Yuichi; Itai, Akiko; Kagechika, Hiroyuki published the artcile< Retinoidal pyrimidinecarboxylic acids. Unexpected diaza-substituent effects in retinobenzoic acids>, Recommanded Product: Ethyl 2-chloropyrimidine-5-carboxylate, the main research area is retinoid heterocyclic analog preparation retinoidal activity; structure activity relationship heterocyclic retinoid analog; antileukemia heterocyclic retinoid analog preparation.

Several pyridine- and pyrimidine-carboxylic acids were synthesized as ligand candidates for retinoid nuclear receptors, retinoic acid receptors (RARs) and retinoic X receptors (RXRs). Although the pyridine derivatives, 6-[(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbamoyl]pyridine-3-carboxylic acid and 6-[(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carboxamido]pyridine-3-carboxylic acid are more potent than the corresponding benzoic acid-type retinoids, Am80 and Am580, the replacement of the benzene ring of Am580, Am555, or Am55 with a pyrimidine ring caused loss of the retinoidal activity both in HL-60 cell differentiation assay and in RAR transactivation assay using COS-1 cells. On the other hand, pyrimidine analogs (PA series) of potent RXR agonists (retinoid synergists) with a diphenylamine skeleton (DA series) exhibited potent retinoid synergistic activity in HL-60 cell differentiation assay and activated RXRs. Among the synthesized compounds, 2-[N-n-propyl-N-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)amino]pyrimidine-5-carboxylic acid (PA013) is most active retinoid synergist in HL-60 assay.

Chemical & Pharmaceutical Bulletin published new progress about Antitumor agents. 89793-12-4 belongs to class pyrimidines, and the molecular formula is C7H7ClN2O2, Recommanded Product: Ethyl 2-chloropyrimidine-5-carboxylate.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Suzuki, Haruka; Inoue, Ryo; Kawamorita, Soichiro; Komiya, Naruyoshi; Imada, Yasushi; Naota, Takeshi published the artcile< Highly Fluorescent Flavins: Rational Molecular Design for Quenching Protection Based on Repulsive and Attractive Control of Molecular Alignment>, Category: pyrimidines, the main research area is flavin fluorescence mol alignment quenching protection repulsive attractive control; flavins; fluorescence; hydrogen bonds; molecular design; steric hindrance.

Unprecedented intense fluorescent emission was observed for a variety of flavin compounds bearing a perpendicular cyclic imide moiety at the C7 position of an isoalloxazine platform. A series of alloxan-substituted flavins was prepared selectively by reduction of the corresponding N-aryl-2-nitro-5-alkoxyanilines with zinc dust and subsequent reaction with alloxan monohydrate in the presence of boric acid. Analogs bearing oxazolidine-2,4-dione functionality were obtained on methylation of the alloxan-substituted flavins with Me iodide and subsequent rearrangement in the presence of an inorganic base. The flavin compounds exhibit intense white-green fluorescent emission in the solution state under UV excitation at 298 K, with emission efficiencies Φ298 K greater than 0.55 in CH3CN, which are higher than the values for all reported flavin compounds under similar conditions. The highest Φ298 K value of 0.70 was obtained in CH3CN for isoalloxazine bearing C7-alloxan and N10-2,6-diisopropylphenyl groups. The temperature dependence of the emission intensities indicates that the pronounced emission properties at 298 K are attributable to the highly heat resistant properties towards emission decay with increasing temperature Mechanistic studies, including X-ray diffraction anal., revealed that the good emission properties and high heat resistance of the alloxan-substituted flavins are due to a synergetic effect of the associative nature of the C7-alloxan unit and the repulsive nature of the perpendicular bulky substituents at the C7 and N10 positions.

Chemistry – A European Journal published new progress about Crystal structure. 2244-11-3 belongs to class pyrimidines, and the molecular formula is C4H4N2O5, Category: pyrimidines.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Riederer, Heinz; Huettermann, Juergen published the artcile< Matrix-isolation of free radicals from 5-halouracils. 3. Electron spin resonance of base oxidation in aqueous acidic glasses>, Computed Properties of 4956-05-2, the main research area is ESR irradiated nucleic acid base; uracil irradiated ESR; halouracil irradiated ESR; thymine irradiated ESR; nucleoside derivative irradiated ESR.

ESR of x-irradiated aqueous acidic glasses (5.3 M H2SO4, 7.2-14.7 M H3PO4) was used to study the base π-cations of the nucleic acid constituents uracil (U), thymine (T), and the range of 5-halouracils (FU, ClU, BU, IU) as well as their nucleoside derivatives, and to follow their secondary reactions. High solute concentrations (>50 mM) and the presence of electron scavengers (100-200 mM Na2S2O8 or H2O2) favored cation formation and stabilization and suppressed the formation of other solute radicals. Generation of the base cations resulted from transfer of a (possibly) excited solvent hole to the pyrimidine base during x-irradation at 77 K and from attack of the trapped solvent hole (SO4-: or HPO4-:) after thermal activation at 145-65 K. The base cations were either deprotonated at N1, as in most of the free bases, or added OH- at C6 in the nucleosides, where the deoxyribose moiety prevented deprotonation. This hydroxylation was suppressed in a water-deficient system (e.g., 14.7 M H3PO4) but very efficient in 5.3 M H2SO4. The structures of both the primary and secondary radicals were confirmed in most cases by a complete simulation of the exptl. ESR powder spectra. The ESR parameters obtained display a strong influence of the 5 substituent (i.e., the halogens) on the spin-d. distribution in the radicals. Characteristic for the π cations was the high spin d. in the halogen π orbital, ranging from 8% in FU to 40% in IU. Moreover, the amount of H2O in the environment exerts a considerable influence on the halogen spin densities in the charged cation.

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, Computed Properties of 4956-05-2.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Rankovic, Zoran; Cai, Jiaqiang; Fradera, Xavier; Dempster, Maureen; Mistry, Ashvin; Mitchell, Ann; Long, Clive; Hamilton, Emma; King, Angela; Boucharens, Sylviane; Jamieson, Craig; Gillespie, Jonathan; Cumming, Iain; Uitdehaag, Joost; van Zeeland, Mario published the artcile< Dioxo-triazines as a novel series of cathepsin K inhibitors>, Electric Literature of 4956-05-2, the main research area is dioxo triazine preparation cathepsin K inhibitor structure.

A novel dioxo-triazine series of cathepsin K inhibitors was identified from HTS. A rapid exploratory program led to the discovery of potent and selective cathepsin K inhibitors, typified by compound 24 which displayed IC50 values of 17 nM against catK and >10,000 nM in catL, catB and catS assays.

Bioorganic & Medicinal Chemistry Letters published new progress about Antiosteoporotic agents. 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

Liu, Chunjian; Lin, James; Langevine, Charles; Smith, Daniel; Li, Jianqing; Tokarski, John S.; Khan, Javed; Ruzanov, Max; Strnad, Joann; Zupa-Fernandez, Adriana; Cheng, Lihong; Gillooly, Kathleen M.; Shuster, David; Zhang, Yifan; Thankappan, Anil; McIntyre, Kim W.; Chaudhry, Charu; Elzinga, Paul A.; Chiney, Manoj; Chimalakonda, Anjaneya; Lombardo, Louis J.; Macor, John E.; Carter, Percy H.; Burke, James R.; Weinstein, David S. published the artcile< Discovery of BMS-986202: A Clinical Tyk2 Inhibitor that Binds to Tyk2 JH2>, Synthetic Route of 89793-12-4, the main research area is BMS986202 Tyk2 JH2 inhibitor antiinflammatory inflammation.

A search for structurally diversified Tyk2 JH2 ligands from 6 (BMS-986165), a pyridazine carboxamide-derived Tyk2 JH2 ligand as a clin. Tyk2 inhibitor currently in late development for the treatment of psoriasis, began with a survey of six-membered heteroaryl groups in place of the N-Me triazolyl moiety in 6. The x-ray co-crystal structure of an early lead (12) revealed a potential new binding pocket. Exploration of the new pocket resulted in two front-runners for a clin. candidate. The potential hydrogen bonding interaction with Thr599 in the pocket was achieved with a tertiary amide moiety, confirmed by the x-ray co-crystal structure of 29. When the diversity search was extended to nicotinamides, a single fluorine atom addition was found to significantly enhance the permeability, which directly led to the discovery of 7 (BMS-986202) as a clin. Tyk2 inhibitor that binds to Tyk2 JH2. The preclin. studies of 7, including efficacy studies in mouse models of IL-23-driven acanthosis, anti-CD40-induced colitis, and spontaneous lupus, will also be presented.

Journal of Medicinal Chemistry published new progress about Acanthosis. 89793-12-4 belongs to class pyrimidines, and the molecular formula is C7H7ClN2O2, Synthetic Route of 89793-12-4.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Crocker, Leander; Koehler, Philipp; Bernhard, Patrick; Kerbs, Antonina; Euser, Tijmen; Fruk, Ljiljana published the artcile< Enzyme-inspired flavin-polydopamine as a biocompatible nanoparticle photocatalyst>, Category: pyrimidines, the main research area is flavin polydopamine biocompatibility nanoparticle photocatalyst.

A new approach aimed at designing an enzyme-inspired photocatalyst is presented that exploits the inherent photocatalytic activity of flavin and the facile polymerization of dopamine to afford hybrid cofactor-containing nanoparticles. The flavin-polydopamine system benefits from ease of synthesis, tunability in terms of size and activity, and excellent temporal control over the catalyzed reactions. This novel, versatile photocatalyst exhibits both photooxidation and photoreduction of chromogenic enzymic substrates. In addition, the prepared hybrid nanoparticles are shown to be non-toxic, paving the way to their use in a wider range of applications beyond green catalysis, such as antioxidant adjuvants to various therapeutic approaches.

Nanoscale Horizons published new progress about Antioxidants. 2244-11-3 belongs to class pyrimidines, and the molecular formula is C4H4N2O5, Category: pyrimidines.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia