Tag: M.W=200-250

Peifer, Christian’s team published research in Journal of Medicinal Chemistry in 52 | CAS: 16909-09-4

Journal of Medicinal Chemistry published new progress about 16909-09-4. 16909-09-4 belongs to catalysis-chemistry, auxiliary class Alkenyl,Carboxylic acid,Benzene,Ether, name is (E)-3-(2,4-Dimethoxyphenyl)acrylic acid, and the molecular formula is C11H12O4, Synthetic Route of 16909-09-4.

Peifer, Christian published the artcile3,4-Diaryl-isoxazoles and -imidazoles as Potent Dual Inhibitors of p38α Mitogen Activated Protein Kinase and Casein Kinase 1δ, Synthetic Route of 16909-09-4, the publication is Journal of Medicinal Chemistry (2009), 52(23), 7618-7630, database is CAplus and MEDLINE.

In this study, we report on the discovery of isoxazole 1 as a potent dual inhibitor of p38α (IC50 = 0.45 μM) and CK1δ (IC50 = 0.23 μM). Because only a few effective small mol. inhibitors of CK1 have been described so far, we aimed to develop this structural class toward specific agents. Mol. modeling studies comparing p38α/CK1δ suggested an optimization strategy leading to design, synthesis, biol. characterization, and SAR of highly potent compounds including 9 (IC50 p38α = 0.006 μM; IC50 CK1δ = 1.6 μM), 13 (IC50 p38α = 2.52 μM; IC50 CK1δ = 0.033 μM), 17 (IC50 p38α = 0.019 μM; IC50 CK1δ = 0.004 μM; IC50 CK1ε = 0.073 μM), and 18 (CKP138) (IC50 p38α = 0.041 μM; IC50 CK1δ = 0.005 μM; IC50 CK1ε = 0.447 μM) possessing differentiated specificity. Selected compounds were profiled over 76 kinases and evaluation of their cellular efficacy showed 18 (CKP138) to be a highly potent and dual-specific inhibitor of CK1δ and p38α.

Journal of Medicinal Chemistry published new progress about 16909-09-4. 16909-09-4 belongs to catalysis-chemistry, auxiliary class Alkenyl,Carboxylic acid,Benzene,Ether, name is (E)-3-(2,4-Dimethoxyphenyl)acrylic acid, and the molecular formula is C11H12O4, Synthetic Route of 16909-09-4.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Reisner, Erwin’s team published research in Inorganic Chemistry in 46 | CAS: 22693-41-0

Inorganic Chemistry published new progress about 22693-41-0. 22693-41-0 belongs to catalysis-chemistry, auxiliary class Other Functionalization Reagent, name is 2,4,6-Triisopropylbenzenethiol, and the molecular formula is C15H24S, Application In Synthesis of 22693-41-0.

Reisner, Erwin published the artcileInfluence of Steric Hindrance on the Core Geometry and Sulfoxidation Chemistry of Carboxylate-rich Diiron(II) Complexes, Application In Synthesis of 22693-41-0, the publication is Inorganic Chemistry (2007), 46(24), 10229-10240, database is CAplus and MEDLINE.

The asym. terphenyl-2′-carboxylate ligand 3,5-dimethyl-1,1′:3′,1”-terphenyl-2′-carboxylate, –O2CArPh,Xyl, was prepared in high yield. This ligand facilitates the assembly of the diiron(II) complexes [Fe2(μ-O2CArTol)2(O2CArPh,Xyl)2(THF)2] [2, –O2CArTol = 2,6-di-p-tolylbenzoate], [Fe2(μ-O2CArTol)2(O2CArPh,Xyl)2(pyridine)2] (5), [Fe2(μ-O2CArPh,Xyl)2(O2CArPh,Xyl)2(THF)2] (3), and [Fe2(μ-O2CArPh,Xyl)2(O2CArPh,Xyl)2(pyridine)2] (6), all of which have a windmill geometry. The Fe-Fe distance of 3.355[10] Å in 6 is âˆ? Å shorter than that in the analog [Fe2(μ-O2CArTol)2(O2CArTol)2(pyridine)2] (4) and similar to the âˆ?.3 Å metal-metal separation at the active site of the reduced diiron(II) form of the soluble methane monooxygenase hydroxylase enzyme (MMOHred). Ortho-substituted picolyl-based ligands, 2-picSMe, 2-picSEt, 2-picStBu, 2-picSPh, 2-picSPh(Me3) (Ph(Me3) = mesityl), and 2-picSPh(iPr3) (Ph(iPr3) = 2,4,6-triisopropylphenyl), were prepared and allowed to react with [Fe2(μ-O2CAr)2(O2CAr)2(THF)2] to produce [Fe2(μ-O2CAr)3(O2CAr)(picSR)] (7–13, Ar = ArTol or ArPh,Xyl) complexes in 45-87% yields. The substrates tethered to the pyridine N-donor ligands picSR, where R = Me, Et, tBu, or Ph, coordinate to one Fe atom of the diiron(II) center by the N and S atoms to form a five-membered chelate ring. The Fe-S distance becomes elongated with increasing steric hindrance imparted by the R group. The most sterically hindered ligands, 2-picSPh(Me3) and 2-picSPh(iPr3), bind to the metal only through the pyridine N atom. The reactions of several of these complexes with dioxygen were studied, and the oxygenated products were analyzed by 1H NMR spectroscopy and GC/MS measurements following decomposition on a Chelex resin. The amount of sulfoxidation product is correlated with the Fe···S distance. The ratio of oxidized to unoxidized thioether substrate varies from 3.5, obtained upon oxygenation of the weakly coordinated 2-picSPh ligand in 10, to 1.0, obtained for the bulky 2-picSPh(iPr3) ligand in 12, for which the Fe-S distance is >4 Å. External thioether substrates were not oxidized when present in oxygenated solutions of paddlewheel and windmill diiron(II) complexes containing 1-methylimidazole or pyridine ligands, resp.

Inorganic Chemistry published new progress about 22693-41-0. 22693-41-0 belongs to catalysis-chemistry, auxiliary class Other Functionalization Reagent, name is 2,4,6-Triisopropylbenzenethiol, and the molecular formula is C15H24S, Application In Synthesis of 22693-41-0.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Abd El-Wahab, Hend A. A.’s team published research in Bioorganic & Medicinal Chemistry in 26 | CAS: 140-28-3

Bioorganic & Medicinal Chemistry published new progress about 140-28-3. 140-28-3 belongs to catalysis-chemistry, auxiliary class Benzenes, name is N1,N2-Dibenzylethane-1,2-diamine, and the molecular formula is C16H20N2, Product Details of C16H20N2.

Abd El-Wahab, Hend A. A. published the artcileDesign, synthesis and evaluation against Mycobacterium tuberculosis of azole piperazine derivatives as dicyclotyrosine (cYY) mimics, Product Details of C16H20N2, the publication is Bioorganic & Medicinal Chemistry (2018), 26(1), 161-176, database is CAplus and MEDLINE.

Three series of azole piperazine derivatives that mimic dicyclotyrosine (cYY), the natural substrate of the essential Mycobacterium tuberculosis cytochrome P 450 CYP121A1, were prepared and evaluated for binding affinity and inhibitory activity (MIC) against M. tuberculosis. Series A replaces one phenol group of cYY with a C3-imidazole moiety, series B includes a keto group on the hydrocarbon chain preceding the series A imidazole, while series C explores replacing the keto group of the piperidone ring of cYY with a CH2-imidazole or CH2-triazole moiety to enhance binding interaction with the heme of CYP121A1. The series displayed moderate to weak type II binding affinity for CYP121A1, with the exception of series B 10a, which displayed mixed type I binding. Of the three series, series C imidazole derivatives showed the best, although modest, inhibitory activity against M. tuberculosis (17d MIC = 12.5 μg/mL, 17a 50 μg/mL). Crystal structures were determined for CYP121A1 bound to series A compounds 6a and 6b that show the imidazole groups positioned directly above the haem iron with binding between the haem iron and imidazole nitrogen of both compounds at a distance of 2.2 Å. A model generated from a 1.5 Å crystal structure of CYP121A1 in complex with compound 10a showed different binding modes in agreement with the heterogeneous binding observed Although the crystal structures of 6a and 6b would indicate binding with CYP121A1, the binding assays themselves did not allow confirmation of CYP121A1 as the target.

Bioorganic & Medicinal Chemistry published new progress about 140-28-3. 140-28-3 belongs to catalysis-chemistry, auxiliary class Benzenes, name is N1,N2-Dibenzylethane-1,2-diamine, and the molecular formula is C16H20N2, Product Details of C16H20N2.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Cabrero-Antonino, Jose R.’s team published research in Catalysis Science & Technology in 6 | CAS: 2909-77-5

Catalysis Science & Technology published new progress about 2909-77-5. 2909-77-5 belongs to catalysis-chemistry, auxiliary class Amine,Benzene, name is 2,6-Diisopropyl-N,N-dimethylaniline, and the molecular formula is C14H23N, Category: catalysis-chemistry.

Cabrero-Antonino, Jose R. published the artcileA general protocol for the reductive N-methylation of amines using dimethyl carbonate and molecular hydrogen: mechanistic insights and kinetic studies, Category: catalysis-chemistry, the publication is Catalysis Science & Technology (2016), 6(22), 7956-7966, database is CAplus.

Herein, a general and selective ruthenium-catalyzed reductive methylation of amines using di-Me carbonate as a C1 source and mol. hydrogen as a reducing agent has been reported. Notably, this methodol. allows N-methylated tertiary aromatic and aliphatic amines to be obtained with good to excellent yields using a green, non-toxic and biodegradable carbon source in the presence of an in situ formed Ru/Triphos complex. The catalytic protocol presented here opens the possibility of developing new sustainable processes for the selective synthesis of N-Me substituted amines using mol. hydrogen. Mechanistic and kinetic studies have been carried out in order to understand the pathways involved in the general reaction mechanism for the N-methylation of aniline.

Catalysis Science & Technology published new progress about 2909-77-5. 2909-77-5 belongs to catalysis-chemistry, auxiliary class Amine,Benzene, name is 2,6-Diisopropyl-N,N-dimethylaniline, and the molecular formula is C14H23N, Category: catalysis-chemistry.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Rao, B. Nageswara’s team published research in Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry in 27B | CAS: 1860-58-8

Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry published new progress about 1860-58-8. 1860-58-8 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Ether, name is 2-(3-(Benzyloxy)phenyl)acetic acid, and the molecular formula is C15H14O3, SDS of cas: 1860-58-8.

Rao, B. Nageswara published the artcileConvenient preparation of arylacetic acids by tetracarbonylcobaltate anion-catalyzed carbonylation, SDS of cas: 1860-58-8, the publication is Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry (1988), 27B(1), 84-5, database is CAplus.

Tetracarbonylcobaltate catalyst [Co(CO)4]–, has been prepared in 6 h by pressure carbonylation of cobalt salt in aqueous alk. solution containing cyanide catalyst. Carbonylation of benzyl chloride derivatives in aqueous methanolic solutions using this catalyst affords arylacetic acids in good yields.

Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry published new progress about 1860-58-8. 1860-58-8 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Ether, name is 2-(3-(Benzyloxy)phenyl)acetic acid, and the molecular formula is C15H14O3, SDS of cas: 1860-58-8.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia