Tag: M.W=250-300

Varma, R. Luxmi published the artcileBis(2-ethylhexyl)-N,N-diethylcarbamoylmethyl phosphonate as a synergist in the extraction of trivalent lanthanides by 1-phenyl-3-methyl-4-trifluoroacetyl-pyrazolone-5, HPLC of Formula: 1691-93-6, the main research area is synergetic extraction trivalent lanthanide.

Synergism in the extraction of trivalent lanthanides such as Nd, Eu, and Lu was investigated by using mixtures of 1-phenyl-3-methyl-4-trifluoroacetyl-pyrazolone-5 (HPMTFP) and bis(2-ethylhexyl)-N,N-diethylcarbamoylmethyl phosphonate (CMP) in chloroform. Lanthanides are found to be extracted from 0.01 mol/dm3 chloroacette medium with HPMTFP as Ln(PMTFP)3 or Ln(PMTFP)3·CMP in the absence or presence of CMP, resp. The equilibrium constants of these synergistic species do not increase monotonically with at. number but have a maximum at Eu. The addition of a synergist, CMP to the metal chelate system not only enhances the extraction efficiency but also improves the selectivities among these trivalent lanthanides. The IR results indicate that CMP acts as a bidentate ligand in these mixed-ligand systems.

Radiochimica Acta published new progress about. 1691-93-6 belongs to class pyrazoles-derivatives, name is 5-Methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-1H-pyrazol-3(2H)-one, and the molecular formula is C12H9F3N2O2, HPLC of Formula: 1691-93-6.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Uehara, Akihiro published the artcileA new electrochemical method to study the distribution of weak acids at the aqueous|organic solution interface, Safety of 5-Methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-1H-pyrazol-3(2H)-one, the main research area is electrochem method weak acid distribution aqueous organic solution interface; phenylmethylbenzoylpyrazolone distribution aqueous organic solution interface electrochem method; phenylmethyltrifluoroacetylpyrazolone distribution aqueous organic solution interface electrochem method; thenoyltrifluoroacetone distribution aqueous organic solution interface electrochem method; dichloroethane water interface weak acid distribution electrochem method.

The distribution process of a weak acid, HA, between an aqueous and an organic solution, W and O, was assumed to be the transfers of the dissociation products, H+ and A-, between W and O combined with the associations of H+ and A- in W and O. The transfers were considered to proceed depending on Gibbs energies for the transfer of H+ and A- from W to O, ΔGotr,H+ and ΔGotr,A-, and maintaining electroneutrality in both W and O. Then, a theor. equation was derived for quant. expressions of distribution ratios, D, of species relative to HA between W and O at various pH of W by using ΔGotr,H+ and ΔGotr,A- and acid dissociation constants of HA in W and O, Ka,W and Ka,O. The D calculated by substituting Ka,W, Ka,O, ΔGotr,H+ and ΔGotr,A- determined with the aid of electrochem. methods for those in the derived equation agreed well with D determined by the distribution experiments with W of wide pH range. The HA studied were chelating agents such as 1-phenyl-3-methyl-4-benzoyl-5-pyrazolone, 1-phenyl-3-methyl-4-trifluoroacetyl-5-pyrazolone and thenoyltrifluoroacetone.

Journal of Electroanalytical Chemistry published new progress about Electrolysis (controlled potential-difference). 1691-93-6 belongs to class pyrazoles-derivatives, name is 5-Methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-1H-pyrazol-3(2H)-one, and the molecular formula is C12H9F3N2O2, Safety of 5-Methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-1H-pyrazol-3(2H)-one.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Browne, Duncan L.; Helm, Matthew D.; Plant, Andrew; Harrity, Joseph P. A. published the artcile< A sydnone cycloaddition route to pyrazole boronic esters>, SDS of cas: 1002334-12-4, the main research area is pyrazole boronate preparation cycloaddition dipolar sydnone alkynylboronate; regioselectivity dipolar cycloaddition alkynylboronate sydnone preparation pyrazolylboronic acid.

Regioselective 1,3-cycloaddition of N-methylsydnone with alkynylboronates gave 4-pyrazolylboronic acids. Cycloaddition of pinacol alkynylboronate R1CCB(OCMe2)2 with 3-R1-5-oxy-1,2,3-oxadiazole (N-R1-sydnone) in xylene at reflux gave 1-R1-3-R2-4-B(OCMe2)-1H-pyrazoles (3a-12a; R1 = Ph, 4-MeOC6H4, 4-NO2C6H4; R2 = Ph, Bu, Me3Si, H) together with their regioisomeric 1-R1-4-R2-3-B(OCMe2)-1H-pyrazoles (3b-12b, same R1, R2) with 54-83% yields and 2:1 to 100% a/b regioselectivity. Functionalization of the products by Suzuki coupling and N-deprotection processes highlight the potential synthetic utility of these species.

Angewandte Chemie, International Edition published new progress about 1,3-Dipolar cycloaddition reaction. 1002334-12-4 belongs to class pyrazoles-derivatives, and the molecular formula is C15H19BN2O2, SDS of cas: 1002334-12-4.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Browne, Duncan L.; Vivat, Jerome F.; Plant, Andrew; Gomez-Bengoa, Enrique; Harrity, Joseph P. A. published the artcile< Investigation of the scope and regiochemistry of alkynylboronate cycloadditions with sydnones>, Recommanded Product: 1-Phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, the main research area is sydnone alkynylboronate cycloaddition regioselective pyrazole boronate preparation; pyrazole boronate dioxaborolanyl preparation regioselective cycloaddition sydnone alkyne alkynylboronate; boronate pyrazolyl substituted preparation cycloaddition alkynylboronate; transition state structure regioselectivity cycloaddition alkynylboronate sydnone preparation pyrazolylboronate; potential energy surface regioselectivity cycloaddition alkynylboronate sydnone preparation pyrazolylboronate; optimized geometry sydnone alkynylboronate cycloaddition intermediate pyrazole transition state.

Di-, tri-, and tetrasubstituted 3- and 4-pyrazolylboronates were prepared by a convenient and highly regioselective procedure comprising cycloaddition of alkynylboronates to sydnones. Addition of 3-R1-4-R2-5-oxy-1,2,3-oxadiazolium with 2-alkynyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolanes R3CCB(OCMe2)2 in 1,2-dichlorobenzene at 180° gave 1-R1-3-R3-4-X-5-R2-1H-pyrazoles (20a-30a; X = 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl; R1 = Ph, Me, 4-NO2C6H4; R2 = Ph, Me, iPr; R3 = Ph, Me3Si); the corresponding regioisomers, 1-R1-4-R3-3-X-5-R2-1H-pyrazoles, were formed in less than 2% amounts However, regioselectivity (a:b) of the reaction of 3-Ph-5-oxy-1,2,3-oxadiazolium with R4CCB(OCMe2)2 giving 1-R1-3-R4-4-X- and 1-R1-4-R4-3-X-1H-pyrazoles (8a-13a, 8b-13b, resp., R1 = Ph, Me, PhCH2, R4 = H, Bu, Me3Si) was lower (1:7, 5:2 and 2:1, resp.). The origins of an observed regiochem. divergence in the reactions of terminal alkynylboronates with their more substituted analogs have been studied by DFT methods.

Journal of the American Chemical Society published new progress about [3+2] Cycloaddition reaction. 1002334-12-4 belongs to class pyrazoles-derivatives, and the molecular formula is C15H19BN2O2, Recommanded Product: 1-Phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Yu, Mingfeng; Teo, Theodosia; Yang, Yuchao; Li, Manjun; Long, Yi; Philip, Stephen; Noll, Benjamin; Heinemann, Gary K.; Diab, Sarah; Eldi, Preethi; Mekonnen, Laychiluh; Anshabo, Abel T.; Rahaman, Muhammed H.; Milne, Robert; Hayball, John D.; Wang, Shudong published the artcile< Potent and orally bioavailable CDK8 inhibitors: Design, synthesis, structure-activity relationship analysis and biological evaluation>, Reference of 1002334-12-4, the main research area is pyridine preparation structure activity relationship biol evaluation CDK8 inhibitor; CDK8 inhibitor; Drug-like properties; Pharmacokinetics; Structure-activity relationship; Toxicity.

CDK8 regulates transcription either by phosphorylation of transcription factors or, as part of a four-subunit kinase module, through a reversible association of the kinase module with the Mediator complex, a highly conserved transcriptional coactivator. Deregulation of CDK8 has been found in various types of human cancer, while the role of CDK8 in suppressing anti-cancer response of natural killer cells is being understood. Currently, CDK8-targeting cancer drugs are highly sought-after. Herein authors detail the discovery of a series of novel pyridine-derived CDK8 inhibitors. Medicinal chem. optimization gave rise to I (AU1-100), a potent CDK8 inhibitor with oral bioavailability. The compound inhibited the proliferation of MV4-11 acute myeloid leukemia cells with the kinase activity of cellular CDK8 dampened. No systemic toxicol. was observed in the mice treated with I. These results warrant further pre-clin. studies of I as an anti-cancer agent.

European Journal of Medicinal Chemistry published new progress about Antitumor agents. 1002334-12-4 belongs to class pyrazoles-derivatives, and the molecular formula is C15H19BN2O2, Reference of 1002334-12-4.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Browne, Duncan L.; Helm, Matthew D.; Plant, Andrew; Harrity, Joseph P. A. published the artcile< A sydnone cycloaddition route to pyrazole boronic esters>, SDS of cas: 1002334-12-4, the main research area is pyrazole boronate preparation cycloaddition dipolar sydnone alkynylboronate; regioselectivity dipolar cycloaddition alkynylboronate sydnone preparation pyrazolylboronic acid.

Regioselective 1,3-cycloaddition of N-methylsydnone with alkynylboronates gave 4-pyrazolylboronic acids. Cycloaddition of pinacol alkynylboronate R1CCB(OCMe2)2 with 3-R1-5-oxy-1,2,3-oxadiazole (N-R1-sydnone) in xylene at reflux gave 1-R1-3-R2-4-B(OCMe2)-1H-pyrazoles (3a-12a; R1 = Ph, 4-MeOC6H4, 4-NO2C6H4; R2 = Ph, Bu, Me3Si, H) together with their regioisomeric 1-R1-4-R2-3-B(OCMe2)-1H-pyrazoles (3b-12b, same R1, R2) with 54-83% yields and 2:1 to 100% a/b regioselectivity. Functionalization of the products by Suzuki coupling and N-deprotection processes highlight the potential synthetic utility of these species.

Angewandte Chemie, International Edition published new progress about 1,3-Dipolar cycloaddition reaction. 1002334-12-4 belongs to class pyrazoles-derivatives, and the molecular formula is C15H19BN2O2, SDS of cas: 1002334-12-4.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Browne, Duncan L.; Vivat, Jerome F.; Plant, Andrew; Gomez-Bengoa, Enrique; Harrity, Joseph P. A. published the artcile< Investigation of the scope and regiochemistry of alkynylboronate cycloadditions with sydnones>, Recommanded Product: 1-Phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, the main research area is sydnone alkynylboronate cycloaddition regioselective pyrazole boronate preparation; pyrazole boronate dioxaborolanyl preparation regioselective cycloaddition sydnone alkyne alkynylboronate; boronate pyrazolyl substituted preparation cycloaddition alkynylboronate; transition state structure regioselectivity cycloaddition alkynylboronate sydnone preparation pyrazolylboronate; potential energy surface regioselectivity cycloaddition alkynylboronate sydnone preparation pyrazolylboronate; optimized geometry sydnone alkynylboronate cycloaddition intermediate pyrazole transition state.

Di-, tri-, and tetrasubstituted 3- and 4-pyrazolylboronates were prepared by a convenient and highly regioselective procedure comprising cycloaddition of alkynylboronates to sydnones. Addition of 3-R1-4-R2-5-oxy-1,2,3-oxadiazolium with 2-alkynyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolanes R3CCB(OCMe2)2 in 1,2-dichlorobenzene at 180° gave 1-R1-3-R3-4-X-5-R2-1H-pyrazoles (20a-30a; X = 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl; R1 = Ph, Me, 4-NO2C6H4; R2 = Ph, Me, iPr; R3 = Ph, Me3Si); the corresponding regioisomers, 1-R1-4-R3-3-X-5-R2-1H-pyrazoles, were formed in less than 2% amounts However, regioselectivity (a:b) of the reaction of 3-Ph-5-oxy-1,2,3-oxadiazolium with R4CCB(OCMe2)2 giving 1-R1-3-R4-4-X- and 1-R1-4-R4-3-X-1H-pyrazoles (8a-13a, 8b-13b, resp., R1 = Ph, Me, PhCH2, R4 = H, Bu, Me3Si) was lower (1:7, 5:2 and 2:1, resp.). The origins of an observed regiochem. divergence in the reactions of terminal alkynylboronates with their more substituted analogs have been studied by DFT methods.

Journal of the American Chemical Society published new progress about [3+2] Cycloaddition reaction. 1002334-12-4 belongs to class pyrazoles-derivatives, and the molecular formula is C15H19BN2O2, Recommanded Product: 1-Phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Yu, Mingfeng; Teo, Theodosia; Yang, Yuchao; Li, Manjun; Long, Yi; Philip, Stephen; Noll, Benjamin; Heinemann, Gary K.; Diab, Sarah; Eldi, Preethi; Mekonnen, Laychiluh; Anshabo, Abel T.; Rahaman, Muhammed H.; Milne, Robert; Hayball, John D.; Wang, Shudong published the artcile< Potent and orally bioavailable CDK8 inhibitors: Design, synthesis, structure-activity relationship analysis and biological evaluation>, Reference of 1002334-12-4, the main research area is pyridine preparation structure activity relationship biol evaluation CDK8 inhibitor; CDK8 inhibitor; Drug-like properties; Pharmacokinetics; Structure-activity relationship; Toxicity.

CDK8 regulates transcription either by phosphorylation of transcription factors or, as part of a four-subunit kinase module, through a reversible association of the kinase module with the Mediator complex, a highly conserved transcriptional coactivator. Deregulation of CDK8 has been found in various types of human cancer, while the role of CDK8 in suppressing anti-cancer response of natural killer cells is being understood. Currently, CDK8-targeting cancer drugs are highly sought-after. Herein authors detail the discovery of a series of novel pyridine-derived CDK8 inhibitors. Medicinal chem. optimization gave rise to I (AU1-100), a potent CDK8 inhibitor with oral bioavailability. The compound inhibited the proliferation of MV4-11 acute myeloid leukemia cells with the kinase activity of cellular CDK8 dampened. No systemic toxicol. was observed in the mice treated with I. These results warrant further pre-clin. studies of I as an anti-cancer agent.

European Journal of Medicinal Chemistry published new progress about Antitumor agents. 1002334-12-4 belongs to class pyrazoles-derivatives, and the molecular formula is C15H19BN2O2, Reference of 1002334-12-4.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Nemec, Vaclav; Hylsova, Michaela; Maier, Lukas; Flegel, Jana; Sievers, Sonja; Ziegler, Slava; Schroeder, Martin; Berger, Benedict-Tilman; Chaikuad, Apirat; Valcikova, Barbora; Uldrijan, Stjepan; Drapela, Stanislav; Soucek, Karel; Waldmann, Herbert; Knapp, Stefan; Paruch, Kamil published the artcile< Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway>, Recommanded Product: 1-Phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, the main research area is synthesis furopyridine; furopyridine cdc like kinase inhibitor Hedgehog pathway modulator; biological activity; chemical probes; heterocycles; inhibitors; kinases.

Reported is the identification of the furo[3,2-b]pyridine core as a novel scaffold for potent and highly selective inhibitors of cdc-like kinases (CLKs) and efficient modulators of the Hedgehog signaling pathway. Initially, a diverse target compound set was prepared by synthetic sequences based on chemoselective metal-mediated couplings, including assembly of the furo[3,2-b]pyridine scaffold by copper-mediated oxidative cyclization. Optimization of the subseries containing 3,5-disubstituted furo[3,2-b]pyridines, e.g. I, afforded potent, cell-active, and highly selective inhibitors of CLKs. Profiling of the kinase-inactive subset of 3,5,7-trisubstituted furo[3,2-b]pyridines, e.g. II, revealed sub-micromolar modulators of the Hedgehog pathway.

Angewandte Chemie, International Edition published new progress about Antitumor agents. 1002334-12-4 belongs to class pyrazoles-derivatives, and the molecular formula is C15H19BN2O2, Recommanded Product: 1-Phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Large, Jonathan M.; Osborne, Simon A.; Smiljanic-Hurley, Ela; Ansell, Keith H.; Jones, Hayley M.; Taylor, Debra L.; Clough, Barbara; Green, Judith L.; Holder, Anthony A. published the artcile< Imidazopyridazines as potent inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1): Preparation and evaluation of pyrazole linked analogues>, Formula: C15H19BN2O2, the main research area is imidazopyridazine inhibitor preparation antimalarial Plasmodium kinase inhibitor; Calcium-dependent protein kinase 1; Imidazopyridazine; Malaria; Plasmodium falciparum; SAR.

The structural diversity and SAR in a series of imidazopyridazine inhibitors of Plasmodium falciparum calcium dependent protein kinase 1 has been explored and extended. The opportunity to further improve key ADME parameters by means of lowering log D was identified, and this was achieved by replacement of a six-membered (hetero)aromatic linker with a pyrazole. A short SAR study has delivered key examples with useful in vitro activity and ADME profiles, good selectivity against a human kinase panel and improved levels of lipophilic ligand efficiency. These new analogs thus provide a credible addnl. route to further development of the series.

Bioorganic & Medicinal Chemistry Letters published new progress about Antimalarials. 1002334-12-4 belongs to class pyrazoles-derivatives, and the molecular formula is C15H19BN2O2, Formula: C15H19BN2O2.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics