| CAS NO: | 93261-39-3 |
| 包装 | 价格(元) |
| 1mg | 电议 |
| 5mg | 电议 |
| 10mg | 电议 |
| 25mg | 电议 |
| Cas No. | 93261-39-3 |
| 别名 | 1-(3,5-Dinitrobenzoyloxy)naphthalene,1-Naphthalonol 3,5-dinitrobenzoate |
| 化学名 | 1-(3,5-dinitrobenzoate) 1-naphthalenol |
| Canonical SMILES | O=C(C1=CC([N+]([O-])=O)=CC([N+]([O-])=O)=C1)OC2=CC=CC3=C2C=CC=C3 |
| 分子式 | C17H10N2O6 |
| 分子量 | 338.3 |
| 溶解度 | ≤0.1mg/ml in methanol;0.5mg/ml in DMSO |
| 储存条件 | Store at -20℃ |
| General tips | For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while. |
| Shipping Condition | Evaluation sample solution : ship with blue ice All other available size: ship with RT , or blue ice upon request |
| 产品描述 | IC50: 1 and 3.6 μM for 5-lipoxygenase and microsomal prostaglandin E synthase-1, respectively 1-Naphthyl 3,5-dinitrobenzoate is a dual 5-lipoxygenase and microsomal prostaglandin E synthase-1 inhibitor. Human 5-lipoxygenase (5-LOX), a target for antiinflammation drug design, catalyzes the first two reactions in the production of leukotrienes from arachidonic acid (AA): oxygenation of AA to 5-HPETE and further dehydration to leukotriene A4 (LTA4). Then LTA4 is metabolized to other leukotrienes. Furthermore, 5-LOX is also found to play key roles in tumor formation and cancer metastasis and thus is considered as a potential target for anticancer drugs. In vitro: A previous study built a comparative model for the human 5-LOX closed conformation and successfully used it in virtual screening. Out of around 200 000 compounds, 105 compounds were selected for experimental test. In cell-free assay, 30 compounds were found to have IC50 values less than 100 μM and 11 with IC50 values less than 10 μM. Eventually, 1-Naphthyl 3,5-dinitrobenzoate was screened out to have inhibition activity in the human whole blood assay with IC50 values less than 10 μM. 1-Naphthyl 3,5-dinitrobenzoate was also identified as efficient dualfunctional inhibitors of 5-LOX and mPGES-1 in both cell-free assay and cell-based assay. In addition, 1-Naphthyl 3,5-dinitrobenzoate was able to simultaneously suppress the production of LTB4 and PGE2 in human whole blood, and its targets was verified as 5-LOX and mPGES-1, not LTA4H, COX-1, COX-2 [1]. In vivo: Up to now, there is no animal in vivo data reported. Clinical trial: So far, no clinical study has been conducted. Reference: |
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