Chinese Journal of Organic Chemistry ›› 2024, Vol. 44 ›› Issue (6): 1967-1977.DOI: 10.6023/cjoc202312015 Previous Articles Next Articles
ARTICLES
秦丽清a,b, 林桂汕a,b,*(), 段文贵a,b,*(), 崔玉成a,b, 杨卯芳a,b, 李芳耀c, 李典鹏d
收稿日期:
2023-12-16
修回日期:
2024-01-23
发布日期:
2024-02-27
基金资助:
Liqing Qina,b, Guishan Lina,b,*(), Wengui Duana,b,*(), Yucheng Cuia,b, Maofang Yanga,b, Fangyao Lic, Dianpeng Lid
Received:
2023-12-16
Revised:
2024-01-23
Published:
2024-02-27
Contact:
* E-mail: Supported by:
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Liqing Qin, Guishan Lin, Wengui Duan, Yucheng Cui, Maofang Yang, Fangyao Li, Dianpeng Li. Synthesis, Antiproliferative Activity, 3D-QSAR and Molecular Docking Study of Novel Longifolene-Derived Tetraline Fused N-Acyl-pyrazole Compounds[J]. Chinese Journal of Organic Chemistry, 2024, 44(6): 1967-1977.
Compd. | IC50a/(μmol•L–1) | ||
---|---|---|---|
MCF-7 | SW480 | Hela | |
6a | >100 | 78.62±0.23 | >100 |
6b | 58.64±0.22 | >100 | >100 |
6c | 25.60±1.09 | >100 | >100 |
6d | 57.43±0.14 | >100 | 68.95±0.15 |
6e | 23.47±0.24 | 49.93±0.20 | >100 |
6f | 32.02±0.16 | 26.10±0.45 | >100 |
6g | 44.40±0.58 | >100 | >100 |
6h | 31.63±2.05 | 41.32±0.23 | >100 |
6i | 27.19±0.24 | 69.78±0.08 | 25.43±4.03 |
6j | 37.37±0.88 | >100 | >100 |
6k | 22.62±0.19 | 29.28±0.98 | >100 |
6l | 22.72±0.23 | 28.06±0.64 | 33.86±0.32 |
6m | 20.40±0.21 | 19.84±0.69 | 36.46±0.32 |
6n | 13.38±0.35 | 23.69±1.16 | 14.68±0.28 |
6o | 32.01±1.43 | 25.73±1.14 | >100 |
6p | 14.45±0.36 | 24.35±1.56 | 32.20±0.33 |
6q | 10.92±0.49 | 8.02±0.39 | 20.15±1.47 |
6r | 4.97±0.21 | 18.77±0.09 | >100 |
6s | >100 | 49.75±0.11 | >100 |
6t | >100 | >100 | >100 |
6u | 47.55±3.64 | 61.67±0.09 | >100 |
5-FUb | 27.05±1.85 | 13.72±0.21 | 23.07±0.99 |
Compd. | IC50a/(μmol•L–1) | ||
---|---|---|---|
MCF-7 | SW480 | Hela | |
6a | >100 | 78.62±0.23 | >100 |
6b | 58.64±0.22 | >100 | >100 |
6c | 25.60±1.09 | >100 | >100 |
6d | 57.43±0.14 | >100 | 68.95±0.15 |
6e | 23.47±0.24 | 49.93±0.20 | >100 |
6f | 32.02±0.16 | 26.10±0.45 | >100 |
6g | 44.40±0.58 | >100 | >100 |
6h | 31.63±2.05 | 41.32±0.23 | >100 |
6i | 27.19±0.24 | 69.78±0.08 | 25.43±4.03 |
6j | 37.37±0.88 | >100 | >100 |
6k | 22.62±0.19 | 29.28±0.98 | >100 |
6l | 22.72±0.23 | 28.06±0.64 | 33.86±0.32 |
6m | 20.40±0.21 | 19.84±0.69 | 36.46±0.32 |
6n | 13.38±0.35 | 23.69±1.16 | 14.68±0.28 |
6o | 32.01±1.43 | 25.73±1.14 | >100 |
6p | 14.45±0.36 | 24.35±1.56 | 32.20±0.33 |
6q | 10.92±0.49 | 8.02±0.39 | 20.15±1.47 |
6r | 4.97±0.21 | 18.77±0.09 | >100 |
6s | >100 | 49.75±0.11 | >100 |
6t | >100 | >100 | >100 |
6u | 47.55±3.64 | 61.67±0.09 | >100 |
5-FUb | 27.05±1.85 | 13.72±0.21 | 23.07±0.99 |
Compd. | IC50a/(μmol•L–1) | ||
---|---|---|---|
A549 | HepG2 | MGC-803 | |
6m | 13.70±0.61 | 37.98±3.41 | 18.98±2.06 |
6n | 41.05±2.31 | 12.02±1.08 | 15.14±0.67 |
6p | 30.91±2.90 | 27.78±4.21 | 25.90±3.37 |
6q | 23.45±0.99 | 19.78±0.79 | 11.95±0.71 |
6r | 28.98±0.72 | 22.89±1.22 | 9.83±0.19 |
5-FUb | 31.41±0.41 | 26.56±1.25 | 14.55±1.24 |
Compd. | IC50a/(μmol•L–1) | ||
---|---|---|---|
A549 | HepG2 | MGC-803 | |
6m | 13.70±0.61 | 37.98±3.41 | 18.98±2.06 |
6n | 41.05±2.31 | 12.02±1.08 | 15.14±0.67 |
6p | 30.91±2.90 | 27.78±4.21 | 25.90±3.37 |
6q | 23.45±0.99 | 19.78±0.79 | 11.95±0.71 |
6r | 28.98±0.72 | 22.89±1.22 | 9.83±0.19 |
5-FUb | 31.41±0.41 | 26.56±1.25 | 14.55±1.24 |
Compd. | pIC50 | CoMFA | pIC50" | Residue |
---|---|---|---|---|
6a | 3.996 | 166 | 3.982 | 0.014 |
6b | 4.232 | 162 | 4.238 | 0.006 |
6c* | 4.592 | 156 | 4.601 | 0.009 |
6d* | 4.241 | 158 | 4.299 | –0.058 |
6e | 4.629 | 160 | 4.634 | –0.005 |
6f | 4.495 | 160 | 4.479 | 0.016 |
6g | 4.353 | 156 | 4.347 | 0.006 |
6h | 4.500 | 162 | 4.469 | 0.031 |
6i | 4.566 | 152 | 4.598 | –0.032 |
6j | 4.427 | 158 | 4.529 | –0.102 |
6k | 4.646 | 158 | 4.667 | –0.021 |
6l | 4.644 | 154 | 4.640 | 0.004 |
6m | 4.690 | 158 | 4.630 | 0.06 |
6n | 4.874 | 156 | 4.864 | 0.01 |
6o | 4.495 | 154 | 4.478 | 0.017 |
6p | 4.840 | 156 | 4.821 | 0.019 |
6q | 4.961 | 166 | 4.996 | –0.035 |
6r | 5.304 | 158 | 5.282 | 0.022 |
Compd. | pIC50 | CoMFA | pIC50" | Residue |
---|---|---|---|---|
6a | 3.996 | 166 | 3.982 | 0.014 |
6b | 4.232 | 162 | 4.238 | 0.006 |
6c* | 4.592 | 156 | 4.601 | 0.009 |
6d* | 4.241 | 158 | 4.299 | –0.058 |
6e | 4.629 | 160 | 4.634 | –0.005 |
6f | 4.495 | 160 | 4.479 | 0.016 |
6g | 4.353 | 156 | 4.347 | 0.006 |
6h | 4.500 | 162 | 4.469 | 0.031 |
6i | 4.566 | 152 | 4.598 | –0.032 |
6j | 4.427 | 158 | 4.529 | –0.102 |
6k | 4.646 | 158 | 4.667 | –0.021 |
6l | 4.644 | 154 | 4.640 | 0.004 |
6m | 4.690 | 158 | 4.630 | 0.06 |
6n | 4.874 | 156 | 4.864 | 0.01 |
6o | 4.495 | 154 | 4.478 | 0.017 |
6p | 4.840 | 156 | 4.821 | 0.019 |
6q | 4.961 | 166 | 4.996 | –0.035 |
6r | 5.304 | 158 | 5.282 | 0.022 |
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(崔玉成, 陈美桦, 林桂汕, 段文贵, 李晴敏, 邹壬萱, 岑波, 有机化学, 2022, 42, 3784.)
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