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| IUPAC Name: | 4,5-dimethoxy-2-nitrobenzaldehyde |
| Description: | DMNB is a derivative of vanillin with 100-fold potency compared to vanillin, and acts as an inhibitor of DNA-dependent protein kinase (DNA-PK) (IC50 = 15 μM). DNA-PK is an enzyme involved in the non-homologous end-joining (NHEJ) pathway of double-stranded DNA break (DSB) repair in human cells. |
| Molecular Weight: | 211.17 |
| Molecular Formula: | C9H9NO5 |
| Canonical SMILES: | COC1=C(C=C(C(=C1)C=O)[N+](=O)[O-])OC |
| InChI: | InChI=1S/C9H9NO5/c1-14-8-3-6(5-11)7(10(12)13)4-9(8)15-2/h3-5H,1-2H3 |
| InChI Key: | YWSPWKXREVSQCA-UHFFFAOYSA-N |
| Boiling Point: | 390.8 ℃ at 760 mmHg |
| Purity: | ≥ 98 % by HPLC |
| Density: | 1.312 g/cm3 |
| Appearance: | Yellow powder |
| MDL: | MFCD00007134 |
| LogP: | 1.94770 |
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1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
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