Wu, Wenling’s team published research in Journal of Colloid and Interface Science in 623 | CAS: 930-36-9

Journal of Colloid and Interface Science published new progress about 930-36-9. 930-36-9 belongs to pyrazoles-derivatives, auxiliary class Pyrazole, name is 1-Methylpyrazole, and the molecular formula is C7H7ClN2S, Application of 1-Methylpyrazole.

Wu, Wenling published the artcileHierarchical architecture of two-dimensional Ti3C2 nanosheets@Metal-Organic framework derivatives as anode for hybrid li-ion capacitors, Application of 1-Methylpyrazole, the publication is Journal of Colloid and Interface Science (2022), 216-225, database is CAplus and MEDLINE.

Two-dimensional (2D) layered metal carbides materials called MXenes (e.g., Ti3C2) are significantly attentioned as electrode material for lithium-ion capacitors (LICs) because of its large surface-to-volume ratio and ultra-high electronic conductivity Whereas, as anode electrode material, the performance and application prospects of Ti3C2 are severely restricted to its lower theory. capacity. In this work, a straightforward and effective strategy to surmount the restrictions was developed to combine layered Ti3C2 nanosheets with dual Co/Zn metal-organic framework (MOF) polyhedrons derivatives through electrostatic assembly. Co3O4/ZnO polyhedrons could prevent the stacking of Ti3C2 nanosheets and provide prominent lithium storage capacity. Furthermore, the advanced structure of Ti3C2@Co3O4/ZnO as anode material could provide short Li+ paths, large electrolyte channels and excellent structural stability to enhance the electrochem. performance for LICs. As a result, the prepared Ti3C2@Co3O4/ZnO composite exhibited a specific capacity of 585.7 mAh/g at 0.1 A/g, and the electrode still delivered a capacity of 229 mAh/g at 2 A/g after 1000 cycles with 93% capacity retention in lithium-ion half cell. In addition, by assembling with activated carbon (AC) as cathode and Ti3C2@Co3O4/ZnO as anode, the LIC revealed an ultra-high energy d. of 196.8 Wh/kg at a power d. of 174.9 W/kg, and delivered a high energy output of 87.5 Wh/kg even at a power d. of 3500 W/kg. And its capacitance retention reaches 75% after 6000 cycles at 2 A/g. The advanced structure, handy preparation, and outstanding performance of layered carbon-based material Ti3C2@hollow polyhedrons composite might provide promising applications in LICs.

Journal of Colloid and Interface Science published new progress about 930-36-9. 930-36-9 belongs to pyrazoles-derivatives, auxiliary class Pyrazole, name is 1-Methylpyrazole, and the molecular formula is C7H7ClN2S, Application of 1-Methylpyrazole.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Sun, Shaoyi’s team published research in Bioorganic & Medicinal Chemistry Letters in 24 | CAS: 763120-58-7

Bioorganic & Medicinal Chemistry Letters published new progress about 763120-58-7. 763120-58-7 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Boronic Acids,Boronic acid and ester, name is 1H-Pyrazole-4-boronic acid, and the molecular formula is C15H14Cl2S2, Name: 1H-Pyrazole-4-boronic acid.

Sun, Shaoyi published the artcileSystematic evaluation of amide bioisosteres leading to the discovery of novel and potent thiazolylimidazolidinone inhibitors of SCD1 for the treatment of metabolic diseases, Name: 1H-Pyrazole-4-boronic acid, the publication is Bioorganic & Medicinal Chemistry Letters (2014), 24(2), 520-525, database is CAplus and MEDLINE.

Several five- and six-membered heterocycles were introduced to replace the C2-position amide bond of the original 2-aminothiazole-based hit compound Specifically, replacement of the amide bond with an imidazolidinone moiety yielded a novel and potent thiazolylimidazolidinone series of SCD1 inhibitors. XEN723 I was identified after optimization of the thiazolylimidazolidinone series. This compound demonstrated a 560-fold improvement in in vitro potency and reduced plasma desaturation indexes in a dose dependent manner, with an EC50 of 4.5 mg/kg.

Bioorganic & Medicinal Chemistry Letters published new progress about 763120-58-7. 763120-58-7 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Boronic Acids,Boronic acid and ester, name is 1H-Pyrazole-4-boronic acid, and the molecular formula is C15H14Cl2S2, Name: 1H-Pyrazole-4-boronic acid.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Ma, Yuan’s team published research in Industrial & Engineering Chemistry Research in 57 | CAS: 930-36-9

Industrial & Engineering Chemistry Research published new progress about 930-36-9. 930-36-9 belongs to pyrazoles-derivatives, auxiliary class Pyrazole, name is 1-Methylpyrazole, and the molecular formula is C4H6N2, Related Products of pyrazoles-derivatives.

Ma, Yuan published the artcileInsight on asym-Pyrazolium Ionic Liquids for Chemical Fixation of CO2 and Propylene Epoxide into Propylene Carbonate without Organic Solvent and Metal, Related Products of pyrazoles-derivatives, the publication is Industrial & Engineering Chemistry Research (2018), 57(40), 13342-13352, database is CAplus.

From the perspective of environmental protection and resource utilization, the fixation of carbon dioxide (CO2) is an interesting and meaningful topic. In this work, a series of asym-dialkylpyrazolium ionic liquids are synthesized by us to explore their catalytic activity for the cycloaddition of CO2 and propylene epoxide to produce propylene carbonate (PC). They could be easily synthesized by a simple reaction, which is the premise for the large-scale application. The effect of alkyl chain length in cation on catalytic performance is investigated. Although asym-pyrazolium ILs present less catalytic activity than sym-pyrazolium ILs, the product yield catalyzed by EPPzBr is as high as 85% with PC selectivity of 99%, which is better than most of nonfunctionalized ionic liquids Moreover, the catalyst could be reused at least five times without significant loss of catalytic activity. To elucidate the structure-property relationship, the difference between asym-pyrazolium ILs and sym-pyrazolium ILs is discussed in detail by the Double-IL model associated with the noncovalent interactions and atoms in mol. anal. The kind of single-component catalysts for the fixation of CO2 is further enriched.

Industrial & Engineering Chemistry Research published new progress about 930-36-9. 930-36-9 belongs to pyrazoles-derivatives, auxiliary class Pyrazole, name is 1-Methylpyrazole, and the molecular formula is C4H6N2, Related Products of pyrazoles-derivatives.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Yang, Fan’s team published research in Jisuanji Yu Yingyong Huaxue in 33 | CAS: 890590-91-7

Jisuanji Yu Yingyong Huaxue published new progress about 890590-91-7. 890590-91-7 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Carboxylic acid, name is 3-Isopropyl-1H-pyrazole-5-carboxylic acid, and the molecular formula is C3H5BN2O2, Quality Control of 890590-91-7.

Yang, Fan published the artcileHomology modelling of G-coupled protein receptor 109A and docking simulation with pyrazole agonists, Quality Control of 890590-91-7, the publication is Jisuanji Yu Yingyong Huaxue (2016), 33(5), 569-574, database is CAplus.

Niacin receptor G-coupled protein receptor 109A (GPR109A) is an important target protein of the treatment of cardiovascular diseases and disorders of lipid metabolism diseases. Since GPR109A is one membrane protein, the crystal structure of which has not been resolved, there are many challenges to drug design for the receptor. Based on the mouse PUMA-G crystal structure, the three-dimensional structure of GPR109A was built by using the homol. modeling method. The model was evaluated by using the Ramachandran Plot and Profile-3D, and the model was optimized with MMFF94 force field, membrane and method of loop, and finally one stabile model was obtained and 12 sites that might be the active sites in the optimal model were found. SYBYL-X2 software was used to build GPR109A pyrazole agonist drug mols., through the steepest descent method and the Conjugate gradient method to receive the most stable conformation of the small drugs mols. All the agonists were docked into each active site of the protein by Libdock method, receiving the interaction models. We analyzed the distribution of amino acid of each active site, and took 5-methyl-3-carboxylic acid as a reference drug mol. to explore the interaction force with each protein active site. This study has theor. significance in designing G-coupled protein receptor 109A pyrazole agonists.

Jisuanji Yu Yingyong Huaxue published new progress about 890590-91-7. 890590-91-7 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Carboxylic acid, name is 3-Isopropyl-1H-pyrazole-5-carboxylic acid, and the molecular formula is C3H5BN2O2, Quality Control of 890590-91-7.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Yang, Mengchen’s team published research in Chirality in 30 | CAS: 14580-22-4

Chirality published new progress about 14580-22-4. 14580-22-4 belongs to pyrazoles-derivatives, auxiliary class Organic Pigment, name is 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone, and the molecular formula is C4H10BBrO2, SDS of cas: 14580-22-4.

Yang, Mengchen published the artcileHighly enantioselective Michael addition of pyrazolin-5-ones to nitroolefins catalyzed by cinchona alkaloid derived 4-methylbenzoylthioureas, SDS of cas: 14580-22-4, the publication is Chirality (2018), 30(9), 1096-1104, database is CAplus and MEDLINE.

Cinchona alkaloid-derived (4-methyl/nitro)benzoylthioureas were synthesized, which smoothly catalyzed the asym. Michael addition of pyrazolin-5-ones to nitroolefins. The results showed that electronic effects of substituents in the benzene ring of benzoylthioureas have subtle influences on their catalytic abilities and electron donating Me group was favored than electron withdrawing nitro group. Preliminary Hartree-Fock calculations revealed that in the catalytic cycle, hydrogen bond energies of the complex formed with 4-methylbenzoylthioureas were about 0.19 to 1.56 kcal/mol higher than with the corresponding 4-nitrobenzoylthioureas. 4-Methylbenzoylthioureas were identified as the most effective catalysts that promoted asym. Michael addition of pyrazolin-5-ones to nitroolefins to give the S- or R-products with high enantioselectivities.

Chirality published new progress about 14580-22-4. 14580-22-4 belongs to pyrazoles-derivatives, auxiliary class Organic Pigment, name is 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone, and the molecular formula is C4H10BBrO2, SDS of cas: 14580-22-4.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Wang, Zhen’s team published research in Journal of Medicinal Chemistry in 64 | CAS: 763120-58-7

Journal of Medicinal Chemistry published new progress about 763120-58-7. 763120-58-7 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Boronic Acids,Boronic acid and ester, name is 1H-Pyrazole-4-boronic acid, and the molecular formula is C4H6BrFO2, Product Details of C3H5BN2O2.

Wang, Zhen published the artcileDiscovery of 2-(3-(3-Carbamoylpiperidin-1-yl)phenoxy)acetic Acid Derivatives as Novel Small-Molecule Inhibitors of the β-Catenin/B-Cell Lymphoma 9 Protein-Protein Interaction, Product Details of C3H5BN2O2, the publication is Journal of Medicinal Chemistry (2021), 64(9), 5886-5904, database is CAplus and MEDLINE.

The β-catenin/B-cell lymphoma 9 (BCL9) protein-protein interaction (PPI) is a potential target for the suppression of hyperactive Wnt/β-catenin signaling that is vigorously involved in cancer initiation and development. Herein, we describe the medicinal chem. optimization of a screening hit to yield novel small-mol. inhibitors of the β-catenin/BCL9 interaction. The best compound 30 can disrupt the β-catenin/BCL9 interaction with a Ki of 3.6μM in AlphaScreen competitive inhibition assays. Cell-based experiments revealed that 30 selectively disrupted the β-catenin/BCL9 PPI, while leaving the β-catenin/E-cadherin PPI unaffected, dose-dependently suppressed Wnt signaling transactivation, downregulated oncogenic Wnt target gene expression, and on-target selectively inhibited the growth of cancer cells harboring aberrant Wnt signaling. This compound with a new chemotype can serve as a lead compound for further optimization of inhibitors for β-catenin/BCL9 PPI.

Journal of Medicinal Chemistry published new progress about 763120-58-7. 763120-58-7 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Boronic Acids,Boronic acid and ester, name is 1H-Pyrazole-4-boronic acid, and the molecular formula is C4H6BrFO2, Product Details of C3H5BN2O2.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Wang, Zhen’s team published research in Journal of Medicinal Chemistry in 64 | CAS: 763120-58-7

Journal of Medicinal Chemistry published new progress about 763120-58-7. 763120-58-7 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Boronic Acids,Boronic acid and ester, name is 1H-Pyrazole-4-boronic acid, and the molecular formula is C22H12F6O6S2, Product Details of C3H5BN2O2.

Wang, Zhen published the artcileDiscovery of an Orally Bioavailable Small-Molecule Inhibitor for the β-Catenin/B-Cell Lymphoma 9 Protein-Protein Interaction, Product Details of C3H5BN2O2, the publication is Journal of Medicinal Chemistry (2021), 64(16), 12109-12131, database is CAplus and MEDLINE.

Aberrant activation of Wnt/β-catenin signaling is strongly associated with many diseases including cancer invasion and metastasis. Small-mol. targeting of the central signaling node of this pathway, β-catenin, is a biol. rational approach to abolish hyperactivation of β-catenin signaling but has been demonstrated to be a difficult task. Herein, we report a drug-like small mol., ZW4864, that binds with β-catenin and selectively disrupts the protein-protein interaction (PPI) between B-cell lymphoma 9 (BCL9) and β-catenin while sparing the β-catenin/E-cadherin PPI. ZW4864 dose-dependently suppresses β-catenin signaling activation, downregulates oncogenic β-catenin target genes, and abrogates invasiveness of β-catenin-dependent cancer cells. More importantly, ZW4864 shows good pharmacokinetic properties and effectively suppresses β-catenin target gene expression in the patient-derived xenograft mouse model. This study offers a selective chem. probe to explore β-catenin-related biol. and a drug-like small-mol. β-catenin/BCL9 disruptor for future drug development.

Journal of Medicinal Chemistry published new progress about 763120-58-7. 763120-58-7 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Boronic Acids,Boronic acid and ester, name is 1H-Pyrazole-4-boronic acid, and the molecular formula is C22H12F6O6S2, Product Details of C3H5BN2O2.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Wang, Zhen’s team published research in ACS Medicinal Chemistry Letters in 13 | CAS: 763120-58-7

ACS Medicinal Chemistry Letters published new progress about 763120-58-7. 763120-58-7 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Boronic Acids,Boronic acid and ester, name is 1H-Pyrazole-4-boronic acid, and the molecular formula is C9H6N2O2, Computed Properties of 763120-58-7.

Wang, Zhen published the artcileNew ZW4864 Derivatives as Small-Molecule Inhibitors for the β-Catenin/BCL9 Protein-Protein Interaction, Computed Properties of 763120-58-7, the publication is ACS Medicinal Chemistry Letters (2022), 13(5), 865-870, database is CAplus and MEDLINE.

A series of 1-(3-(2-amino-2-oxoethoxy)phenyl)piperidine-3-carboxamide derivatives I [R1 = 2,7-diazaspiro[4.4]nonan-2-ium, 2,7-diazaspiro[4.4]nonan-2-ium, piperazin-1-ium, etc.; R2 = R3 = Me, R2 R3 = -CH2-CH2-, -CH2-CH2-CH2-, etc.], II[R4 = H, Me, iso-Pr, etc.], III[R5 = 3-indolyl, indazol-4-yl, 1H-pyrrolo[2,3-b]pyridin-5-yl, etc.] were reported as new small-mol. β-catenin/B-cell lymphoma 9 (BCL9) protein-protein interaction (PPI) inhibitors. Compounds II were discovered to inhibit the β-catenin/BCL9 PPI with Ki = 0.85-2.7μM. The effects of III[R5 =1H-pyrrolo[2,3-b]pyridin-5-yl] on the β-catenin/BCL9 PPI in cellular context were demonstrated by β-catenin/BCL9 pull-down inhibition and dose-dependent suppression of Wnt/β-catenin signal transactivation. Notably, compound III[R5 =1H-pyrrolo[2,3-b]pyridin-5-yl] is more potent than ZW4864, a previously reported analog, in modulating transcription and expression of β-catenin target genes and suppressing survival of β-catenin-dependent cancer cells. The cellular on-target efficacy of III[R5 =1H-pyrrolo[2,3-b]pyridin-5-yl] was demonstrated by β-catenin rescue experiments Compound III[R5 =1H-pyrrolo[2,3-b]pyridin-5-yl] represents a promising starting point for further optimization of β-catenin/BCL9 PPI inhibitors.

ACS Medicinal Chemistry Letters published new progress about 763120-58-7. 763120-58-7 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Boronic Acids,Boronic acid and ester, name is 1H-Pyrazole-4-boronic acid, and the molecular formula is C9H6N2O2, Computed Properties of 763120-58-7.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Wang, Zhen’s team published research in Journal of Medicinal Chemistry in 64 | CAS: 724710-02-5

Journal of Medicinal Chemistry published new progress about 724710-02-5. 724710-02-5 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Pyrazole,Boronic Acids,Boronic acid and ester, name is (1H-Pyrazol-5-yl)boronic acid, and the molecular formula is C19H17N2NaO4S, Computed Properties of 724710-02-5.

Wang, Zhen published the artcileDiscovery of 2-(3-(3-Carbamoylpiperidin-1-yl)phenoxy)acetic Acid Derivatives as Novel Small-Molecule Inhibitors of the β-Catenin/B-Cell Lymphoma 9 Protein-Protein Interaction, Computed Properties of 724710-02-5, the publication is Journal of Medicinal Chemistry (2021), 64(9), 5886-5904, database is CAplus and MEDLINE.

The β-catenin/B-cell lymphoma 9 (BCL9) protein-protein interaction (PPI) is a potential target for the suppression of hyperactive Wnt/β-catenin signaling that is vigorously involved in cancer initiation and development. Herein, we describe the medicinal chem. optimization of a screening hit to yield novel small-mol. inhibitors of the β-catenin/BCL9 interaction. The best compound 30 can disrupt the β-catenin/BCL9 interaction with a Ki of 3.6μM in AlphaScreen competitive inhibition assays. Cell-based experiments revealed that 30 selectively disrupted the β-catenin/BCL9 PPI, while leaving the β-catenin/E-cadherin PPI unaffected, dose-dependently suppressed Wnt signaling transactivation, downregulated oncogenic Wnt target gene expression, and on-target selectively inhibited the growth of cancer cells harboring aberrant Wnt signaling. This compound with a new chemotype can serve as a lead compound for further optimization of inhibitors for β-catenin/BCL9 PPI.

Journal of Medicinal Chemistry published new progress about 724710-02-5. 724710-02-5 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Pyrazole,Boronic Acids,Boronic acid and ester, name is (1H-Pyrazol-5-yl)boronic acid, and the molecular formula is C19H17N2NaO4S, Computed Properties of 724710-02-5.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Wang, Zhen’s team published research in Journal of Medicinal Chemistry in 64 | CAS: 724710-02-5

Journal of Medicinal Chemistry published new progress about 724710-02-5. 724710-02-5 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Pyrazole,Boronic Acids,Boronic acid and ester, name is (1H-Pyrazol-5-yl)boronic acid, and the molecular formula is C12H9NO, HPLC of Formula: 724710-02-5.

Wang, Zhen published the artcileDiscovery of an Orally Bioavailable Small-Molecule Inhibitor for the β-Catenin/B-Cell Lymphoma 9 Protein-Protein Interaction, HPLC of Formula: 724710-02-5, the publication is Journal of Medicinal Chemistry (2021), 64(16), 12109-12131, database is CAplus and MEDLINE.

Aberrant activation of Wnt/β-catenin signaling is strongly associated with many diseases including cancer invasion and metastasis. Small-mol. targeting of the central signaling node of this pathway, β-catenin, is a biol. rational approach to abolish hyperactivation of β-catenin signaling but has been demonstrated to be a difficult task. Herein, we report a drug-like small mol., ZW4864, that binds with β-catenin and selectively disrupts the protein-protein interaction (PPI) between B-cell lymphoma 9 (BCL9) and β-catenin while sparing the β-catenin/E-cadherin PPI. ZW4864 dose-dependently suppresses β-catenin signaling activation, downregulates oncogenic β-catenin target genes, and abrogates invasiveness of β-catenin-dependent cancer cells. More importantly, ZW4864 shows good pharmacokinetic properties and effectively suppresses β-catenin target gene expression in the patient-derived xenograft mouse model. This study offers a selective chem. probe to explore β-catenin-related biol. and a drug-like small-mol. β-catenin/BCL9 disruptor for future drug development.

Journal of Medicinal Chemistry published new progress about 724710-02-5. 724710-02-5 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Pyrazole,Boronic Acids,Boronic acid and ester, name is (1H-Pyrazol-5-yl)boronic acid, and the molecular formula is C12H9NO, HPLC of Formula: 724710-02-5.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics