N6-Benzoyladenine
SIGMA/B5258 - ≥99%
Synonym: 6-
CAS Number: 4005-49-6
Empirical Formula (Hill Notation): C12H9N5O
Molecular Weight: 239.23
MDL Number: MFCD00037927
Linear Formula: C12H9N5O
Product Type: Chemical
| assay | ≥99% |
| form | powder |
| InChI | 1S/C12H9N5O/c18-12(8-4-2- |
| InChI key | QQJXZVKXNSFHRI-UHFFFAOYSA |
| Quality Level | 200 ![]() |
| SMILES string | O=C(Nc1ncnc2nc[nH]c12)c3c |
| solubility | warm ethanol: 10 mg/mL, clear to slightly hazy, colorless to faintly yellow |
| storage temp. | 2-8°C |
| Application: | N6-Benzoyladenine is used in the organic synthesis of adenine derivative molecules such as bicyclic adenine nucleoside via a condensation reaction between L-threo-pentofuranose derivative 1 and 6-N-benzoyladenine and to produce oxy-peptide nucleic acids. |
| Biochem/physiol Actions: | N6-Benzoyladenine comprises of adenine moiety and is a potent inhibitor of bromodomain-containing protein 4 (BRD4). N6-Benzoyladenine modulates tumor necrosis factor α (TNF-α) levels. It elicits cytotoxicity in liver and ileum cancer cells and may serve as a potential candidate agent for cancer chemotherapy. |
| Packaging: | 5, 25 g in poly bottle |
| Symbol | ![]() GHS07,GHS08 |
| Signal word | Warning |
| Hazard statements | H302 - H317 - H361d |
| Precautionary statements | P201 - P202 - P280 - P301 + P312 - P302 + P352 - P308 + P313 |
| Hazard Codes | Xn |
| Risk Statements | 22-43 |
| Safety Statements | 36/37 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Purity | ≥99% |
| Storage Temp. | 2-8°C |
| UNSPSC | 41106305 |



