Benzo[a]pyrene-3,6-quinone

CAS: 3067-14-9

Ref. TR-B205865

Product Information

• Name: Benzo[a]pyrene-3,6-quinone
• Synonyms: Benzo[a]pyrene-3,6-dione, 3,6-Dihydrobenzo[a]pyrene-3,6-dione
• Brand: TRC
• Description: Applications Benzo[a]pyrene-3,6-quinone is a metabolite of Benzopyrene (B205800) and is able to induce epidermal growth factor receptor (EGFR) cell signaling in human mammary epithelial cells. Also highly mutagenic and carcinogenic.References Rodriguez-Fragoso, L., et al.: Toxicol. Appl. Pharm., 235, 321 (2009); Sen, S., et al.: Chem. Res. Toxicol., 25, 2117 (2012)

Chemical properties

• Molecular weight: 282.29
• Formula: C₂₀H₁₀O₂
• Color/Form: Neat
• InChI: InChI=1S/C20H10O2/c21-17-10-6-11-5-7-13-12-3-1-2-4-14(12)20(22)16-9-8-15(17)18(11)19(13)16/h1-10H
• SMILES: Cc1ccc(N(CC(=O)[O-])CC(=O)[O-])c(OCCOc2cc3cc(-c4ncc(C(=O)[O-])o4)oc3cc2N(CC(=O)[O-])CC(=O)[O-])c1.[K+].[K+].[K+].[K+].[K+]