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| IUPAC Name: | 6-phenylmethoxy-7H-purin-2-amine |
| Description: | O6-Benzylguanine is a guanine derivative that acts as an irreversible inhibitor of O6-Alkylguanine-DNA alkyltransferase (AGT; MGMT), a DNA repair protein. It inactivates AGT and increases the chemotherapeutic effectiveness of chloroethylating and methylating agents in vitro and in human tumor xenograft models. |
| Molecular Weight: | 241.25 |
| Molecular Formula: | C12H11N5O |
| Canonical SMILES: | C1=CC=C(C=C1)COC2=NC(=NC3=C2NC=N3)N |
| InChI: | InChI=1S/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17) |
| InChI Key: | KRWMERLEINMZFT-UHFFFAOYSA-N |
| Boiling Point: | 621.4 ℃ at 760 mmHg |
| Melting Point: | >193 ℃ (dec.) |
| Purity: | ≥ 98 % |
| Density: | 1.431 g/cm3 |
| Appearance: | Crystalline solid |
| MDL: | MFCD00269931 |
| LogP: | 2.09530 |
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