Tag: M.W=300-350

Zhang, Zhiqiang published the artcileSynthesis and antifungal activities of novel triazole derivatives with dithiocarbamates side chain, Formula: C12H13F2N3O4S, the publication is Yaoxue Fuwu Yu Yanjiu (2016), 16(2), 94-97, database is CAplus.

Objective: To synthesize a series of novel triazole derivatives with dithiocarbamates side chain and evaluate their antifungal activities. Methods: Nine target compounds were synthesized and their structure characterizations were conformed by ¹H-NMR and MS spectra. The in vitro antifungal activities of all the compounds were evaluated against eight human pathogenic fungi. Results: Potent antifungal activities were exhibited in all the target compounds, some of which showed potent antifungal activity against Candida glabrata (sown in I and II as examples), which was superior to such control drugs as fluconazole. Conclusion: The target compounds with dithiocarbamates side chain have potent antifungal activity.

Yaoxue Fuwu Yu Yanjiu published new progress about 86386-77-8. 86386-77-8 belongs to triazoles, auxiliary class Epoxides,Triazole,Fluoride,Salt,Sulfonic acid,Benzene, name is 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, and the molecular formula is C20H17FO4S, Formula: C12H13F2N3O4S.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Gao, Zhipei published the artcileMolecular dynamics simulations based on 1-phenyl-4-benzoyl-1-hydro-triazole ERRα inverse agonists, Product Details of C18H18N4O, the publication is International Journal of Molecular Sciences (2021), 22(7), 3724, database is CAplus and MEDLINE.

Estrogen-related receptor α(ERRα), which is overexpressed in a variety of cancers has been considered as an effective target for anticancer therapy. ERRα inverse agonists have been proven to effectively inhibit the migration and invasion of cancer cells. As few crystalline complexes have been reported, mol. dynamics (MD) simulations were carried out in this study to deepen the understanding of the interaction mechanism between inverse agonists and ERRα. The binding free energy was analyzed by the MM-GBSA method. The results show that the total binding free energy was pos. correlated with the biol. activity of an inverse agonist. The interaction of the inverse agonist with the hydrophobic interlayer composed of Phe328 and Phe495 had an important impact on the biol. activity of inverse agonists, which was confirmed by the decomposition of energy on residues. As Glu331 flipped and formed a hydrogen bond with Arg372 in the MD simulation process, the formation of hydrogen bond interaction with Glu331 was not a necessary condition for the compound to act as an inverse agonist. These rules provide guidance for the design of new inverse agonists.

International Journal of Molecular Sciences published new progress about 1437325-71-7. 1437325-71-7 belongs to triazoles, auxiliary class Benzenes, name is (2-Aminophenyl)(1-(3-isopropylphenyl)-1H-1,2,3-triazol-4-yl)methanone, and the molecular formula is C18H18N4O, Product Details of C18H18N4O.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Li, Liangjing published the artcileSynthesis and evaluation of novel azoles as potent antifungal agents, Recommanded Product: 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, the publication is Bioorganic & Medicinal Chemistry Letters (2014), 24(1), 192-194, database is CAplus and MEDLINE.

Using a rational approach to the design of antifungal agents, a series of azole agents with 1,3,4-oxadiazole side chains I were designed and synthesized. The results of preliminary in vitro antifungal tests with eight human pathogenic compounds showed that all of the title compounds exhibited excellent activities against all of the tested fungi except Aspergillus fumigatus. Compounds I (R = 2-Cl or R = 3-Cl) were the most effective, with a min. inhibitory concentration of 0.0039 μg/mL, followed by voriconazole, which has a MIC of 0.0625 μg/mL. The 1,3,4-oxadiazole side chain is not the major contributor but plays a role in eliciting the observed antifungal activity.

Bioorganic & Medicinal Chemistry Letters published new progress about 86386-77-8. 86386-77-8 belongs to triazoles, auxiliary class Epoxides,Triazole,Fluoride,Salt,Sulfonic acid,Benzene, name is 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, and the molecular formula is C12H13F2N3O4S, Recommanded Product: 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Zhang, Jie-bing published the artcileSynthesis and antifungal activity of 1-(1H-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-3-(N-cyclopropyl-N-benzylamino)-2-propanols, SDS of cas: 86386-77-8, the publication is Yaoxue Shijian Zazhi (2009), 27(2), 107-110, database is CAplus.

Design and synthesis of triazole antifungal derivatives based on the structure of fluconazole were disclosed. The title compounds were prepared via N-benzylation of 3-(N-cyclopropylamino)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-propanol with 4-(bromomethyl)benzoates. Structures of all the synthesized compounds were confirmed by MS, ¹H-NMR, et al. The antifungal activities were evaluated against the eight tested pathogenic fungi. All title compounds exhibited activity against fungi tested to some extent. Compounds I and some other tested compounds exhibited strong antifungal activities against eight fungi. It is concluded that a benzyl moiety with a group of shorter length substituted on 4-position is required for higher activity.

Yaoxue Shijian Zazhi published new progress about 86386-77-8. 86386-77-8 belongs to triazoles, auxiliary class Epoxides,Triazole,Fluoride,Salt,Sulfonic acid,Benzene, name is 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, and the molecular formula is C27H39ClN2, SDS of cas: 86386-77-8.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Zhu, Tianbao published the artcileLanosterol 14α-demethylase (CYP51)/histone deacetylase (HDAC) dual inhibitors for treatment of Candida tropicalis and Cryptococcus neoformans infections, Quality Control of 86386-77-8, the publication is European Journal of Medicinal Chemistry (2021), 113524, database is CAplus and MEDLINE.

Invasive fungal infections remain a challenge due to lack of effective antifungal agents and serious drug resistance. Discovery of antifungal agents with novel antifungal mechanism is important and urgent. Previously, we designed the first CYP51/HDAC dual inhibitors with potent activity against resistant Candida albicans infections. To better understand the antifungal spectrum and synergistic mechanism, herein new CYP51/HDAC dual inhibitors were designed which showed potent in vitro and in vivo antifungal activity against C. neoformans and C. tropicalis infections. Antifungal mechanism studies revealed that the CYP51/HDAC dual inhibitors acted by inhibiting various virulence factors of C. tropicalis and C. neoformans and down-regulating resistance-associated genes. This study highlights the potential of CYP51/HDAC dual inhibitors as a promising strategy for the discovery of novel broad-spectrum antifungal agents.

European Journal of Medicinal Chemistry published new progress about 86386-77-8. 86386-77-8 belongs to triazoles, auxiliary class Epoxides,Triazole,Fluoride,Salt,Sulfonic acid,Benzene, name is 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, and the molecular formula is C7H8FNO2S, Quality Control of 86386-77-8.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Ren, Xiao-hui published the artcileSynthesis, crystal structures and antifungal activity of novel triazole compounds containing 1,3-dioxolane, Application In Synthesis of 86386-77-8, the publication is Yaoxue Shijian Zazhi (2012), 30(5), 344-347, database is CAplus.

To synthesize the geometric isomer of (E)-1-((4-(2,4-difluorophenyl)-2-(4-fluorostyryl)-1,3-dioxolan-4-yl)methyl)-1H-l,2,4-triazole, determine their structures by XRD and evaluate their antifungal activities in vitro, the target compounds were prepared from 1H-1,2,4-triazole and 2-chloro-2′,4′-difluoroacetophenone, the key oxirane intermediate was obtained by Corey-Chaykovsky epoxidation The key oxirane intermediate was hydrolyzed in the presence of 9% sulfuric acid, then the product was reacted with 4-fluorinecinnamaldehyde by condensation reaction to afford 6Ka and 6Kb. Their structures were characterized by ^-1H NMR, MS and XRD. Compound 6Ka belonged to monoclinic crystal system, space group P2(1)/c and had a cis configuration. While compound 6Kb belonged to monoclinic crystal system, space group P2(1)/n and had a trans configuration. Both compounds which showed strong antifungal activities in vitro against five fungi. The antifungal activities of compound 6Kb was better than that of 6Ka. The trans configuration of this kind had a predominant in vitro antifungal activities than the corresponding cis configuration.

Yaoxue Shijian Zazhi published new progress about 86386-77-8. 86386-77-8 belongs to triazoles, auxiliary class Epoxides,Triazole,Fluoride,Salt,Sulfonic acid,Benzene, name is 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, and the molecular formula is C12H13F2N3O4S, Application In Synthesis of 86386-77-8.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Wang, Shu-dong published the artcileSynthesis and antifungal activity of the novel triazole compounds, SDS of cas: 86386-77-8, the publication is Yaoxue Shijian Zazhi (2011), 29(6), 426-430, database is CAplus.

To design, synthesis and evaluate the antifungal active of the novel triazole compounds based on the structure of fluconazole, the big N,N-disubstituted group was introduced and a series of compounds were synthesized, all of them were confirmed by MS and ¹H NMR, et al. Eighteen triazole compounds I(R = 2-F, 3-F, 4-F, 2-Cl, 3-Cl, 4-Cl, 2-Br, 3-Br, 2-Me, 3-Me, 4-Me, 2-NO₂, 3-NO₂, 4-NO₂, 2-CN, 3-CN, 4-CN, H) were synthesized and the antifungal activity were also evaluated against the eight common pathogenic fungi. The big N,N-disubstituted group introduced to the side chain could affected the antifungal activity.

Yaoxue Shijian Zazhi published new progress about 86386-77-8. 86386-77-8 belongs to triazoles, auxiliary class Epoxides,Triazole,Fluoride,Salt,Sulfonic acid,Benzene, name is 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, and the molecular formula is C20H19NO4, SDS of cas: 86386-77-8.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Sheng, Chunquan published the artcileOptimization of the synthesis of the key intermediate of fluconazole by the orthogonal experimental design, COA of Formula: C12H13F2N3O4S, the publication is Zhongguo Yaowu Huaxue Zazhi (2002), 12(6), 344-346, database is CAplus.

Optimization of the preparation of 1-[2-(2,4-difluorophenyl)-2,3-epoxypropyl]-1H-1,2,4-triazole methanesulfonate, an intermediate in fluconazole synthesis, by reacting 2′,4′-difluoro-2-(1H-1,2,4-triazol-1-yl)acetophenone with trimethylsulfoxonium iodide was carried out using orthogonal exptl. design. The yield reached 62.34%.

Zhongguo Yaowu Huaxue Zazhi published new progress about 86386-77-8. 86386-77-8 belongs to triazoles, auxiliary class Epoxides,Triazole,Fluoride,Salt,Sulfonic acid,Benzene, name is 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, and the molecular formula is C10H15ClO3S, COA of Formula: C12H13F2N3O4S.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Sheng, Chunquan published the artcileDesign and synthesis of novel triazole antifungal derivatives by structure-based bioisosterism, Computed Properties of 86386-77-8, the publication is European Journal of Medicinal Chemistry (2011), 46(11), 5276-5282, database is CAplus and MEDLINE.

The incidence of life-threatening fungal infections is increasing dramatically. In an attempt to develop novel antifungal agents, our previously synthesized phenoxyalkylpiperazine triazole derivatives were used as lead structures for further optimization. By means of structure-based bioisosterism, triazolone was used as a new bioisostere of oxygen atom. This type of bioisosteric replacement can improve the water solubility without loss of hydrogen-bonding interaction with the target enzyme. A series of triazolone-containing triazoles were rationally designed and synthesized. As compared with fluconazole, several compounds showed higher antifungal activity with broader spectrum, suggesting their potential for further evaluations.

European Journal of Medicinal Chemistry published new progress about 86386-77-8. 86386-77-8 belongs to triazoles, auxiliary class Epoxides,Triazole,Fluoride,Salt,Sulfonic acid,Benzene, name is 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, and the molecular formula is C9H8BNO2, Computed Properties of 86386-77-8.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Yu, Shichong published the artcileSynthesis and antifungal activity of the novel triazole compounds, Recommanded Product: 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, the publication is MedChemComm (2013), 4(4), 704-708, database is CAplus.

A series of 1-(1H-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-3-substituted-2-propanols which are analogs of fluconazole, were designed and synthesized for the first time by the click reaction on the basis of computational docking experiments to the active site of the cytochrome P 450 14α-demethylase (CYP51). Their structures were characterized by ¹H NMR, ¹³C NMR and HRMS. The in vitro antifungal activities of all the target compounds were evaluated against eight human pathogenic fungi.

MedChemComm published new progress about 86386-77-8. 86386-77-8 belongs to triazoles, auxiliary class Epoxides,Triazole,Fluoride,Salt,Sulfonic acid,Benzene, name is 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, and the molecular formula is C8H9NOS, Recommanded Product: 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics