5-(4-Fluorophenyl)-3-(naphthalen-1-yl)-1-phenyl-1<i<H</i<-pyrazole
A new fluorinated pyrazole, 5-(4-fluorophenyl)-3-(naphthalen-1-yl)-1-phenyl-1<i<H</i<-pyrazole was successfully synthesized via a two-step reaction. Firstly, the synthesis of pyrazoline was performed via one-pot three-component reaction under microwave irradiation. Secondly, the synthesis of pyrazole was performed via oxidative aromatization of pyrazoline under conventional heating. The structure of the synthesized compound was confirmed by spectroscopic analysis, including FT-IR, HR-MS, 1D and 2D NMR analysis. Then, molecular docking study showed that the binding affinity of the synthesized compound to human estrogen alpha receptor (ERα) was close to 4-OHT as a native ligand..
| Medienart: |
E-Artikel |
|---|
| Erscheinungsjahr: |
2021 |
|---|---|
| Erschienen: |
2021 |
| Enthalten in: |
Zur Gesamtaufnahme - year:2021 |
|---|---|
| Enthalten in: |
Molbank - (2021), 1, p M1197 |
| Sprache: |
Englisch |
|---|
| Beteiligte Personen: |
Jasril Jasril [VerfasserIn] |
|---|
| Links: |
doi.org [kostenfrei] |
|---|
| Themen: |
Anti-breast cancer |
|---|
| doi: |
10.3390/M1197 |
|---|
| funding: |
|
|---|---|
| Förderinstitution / Projekttitel: |
|
| PPN (Katalog-ID): |
DOAJ056944454 |
|---|
| LEADER | 01000caa a22002652 4500 | ||
|---|---|---|---|
| 001 | DOAJ056944454 | ||
| 003 | DE-627 | ||
| 005 | 20240412191320.0 | ||
| 007 | cr uuu---uuuuu | ||
| 008 | 230227s2021 xx |||||o 00| ||eng c | ||
| 024 | 7 | |a 10.3390/M1197 |2 doi | |
| 035 | |a (DE-627)DOAJ056944454 | ||
| 035 | |a (DE-599)DOAJfe0620cacb00485bb4bd865d44e6b6c8 | ||
| 040 | |a DE-627 |b ger |c DE-627 |e rakwb | ||
| 041 | |a eng | ||
| 050 | 0 | |a QD146-197 | |
| 100 | 0 | |a Jasril Jasril |e verfasserin |4 aut | |
| 245 | 1 | 0 | |a 5-(4-Fluorophenyl)-3-(naphthalen-1-yl)-1-phenyl-1<i<H</i<-pyrazole |
| 264 | 1 | |c 2021 | |
| 336 | |a Text |b txt |2 rdacontent | ||
| 337 | |a Computermedien |b c |2 rdamedia | ||
| 338 | |a Online-Ressource |b cr |2 rdacarrier | ||
| 520 | |a A new fluorinated pyrazole, 5-(4-fluorophenyl)-3-(naphthalen-1-yl)-1-phenyl-1<i<H</i<-pyrazole was successfully synthesized via a two-step reaction. Firstly, the synthesis of pyrazoline was performed via one-pot three-component reaction under microwave irradiation. Secondly, the synthesis of pyrazole was performed via oxidative aromatization of pyrazoline under conventional heating. The structure of the synthesized compound was confirmed by spectroscopic analysis, including FT-IR, HR-MS, 1D and 2D NMR analysis. Then, molecular docking study showed that the binding affinity of the synthesized compound to human estrogen alpha receptor (ERα) was close to 4-OHT as a native ligand. | ||
| 650 | 4 | |a fluorinated pyrazole | |
| 650 | 4 | |a one-pot reaction | |
| 650 | 4 | |a three-component reaction | |
| 650 | 4 | |a anti-breast cancer | |
| 650 | 4 | |a molecular docking | |
| 650 | 4 | |a human estrogen alpha | |
| 653 | 0 | |a Inorganic chemistry | |
| 700 | 0 | |a Neni Frimayanti |e verfasserin |4 aut | |
| 700 | 0 | |a Yuana Nurulita |e verfasserin |4 aut | |
| 700 | 0 | |a Adel Zamri |e verfasserin |4 aut | |
| 700 | 0 | |a Ihsan Ikhtiarudin |e verfasserin |4 aut | |
| 700 | 0 | |a Guntur Guntur |e verfasserin |4 aut | |
| 773 | 0 | 8 | |i In |t Molbank |d MDPI AG, 2004 |g (2021), 1, p M1197 |w (DE-627)DOAJ00007182X |x 14228599 |7 nnns |
| 773 | 1 | 8 | |g year:2021 |g number:1, p M1197 |
| 856 | 4 | 0 | |u https://doi.org/10.3390/M1197 |z kostenfrei |
| 856 | 4 | 0 | |u https://doaj.org/article/fe0620cacb00485bb4bd865d44e6b6c8 |z kostenfrei |
| 856 | 4 | 0 | |u https://www.mdpi.com/1422-8599/2021/1/M1197 |z kostenfrei |
| 856 | 4 | 2 | |u https://doaj.org/toc/1422-8599 |y Journal toc |z kostenfrei |
| 912 | |a GBV_USEFLAG_A | ||
| 912 | |a GBV_DOAJ | ||
| 951 | |a AR | ||
| 952 | |j 2021 |e 1, p M1197 | ||