Products 147700-11-6

CAS 147700-11-6 appears in our catalog under these names: 8-(3-Chlorostyryl)caffeine, 8–(3–Chlorostyryl)caffeine, 8-(3-CHLOROSTYRYL)CAFEINE, (E)-8-(3-Chlorostyryl)caffeine, 99.4%. Offered by: TRC, GLPBio, Biosynth, Sigma-Aldrich, MedChemExpress. Available pack sizes: 250mg, 10mg, 50mg, 500mg, 25MG, 25 mg, 10 mg, 5 mg.

Structural formula: {0} (CAS {1})

8-(3-chlorostyryl)caffeine is caffeine substituted at its 8-position by an (E)-3-chlorostyryl group. It has a role as an EC 1.4.3.4 (monoamine oxidase) inhibitor and an adenosine A2A receptor antagonist. It is a trimethylxanthine and a member of monochlorobenzenes. It is functionally related to a caffeine.

Source: ChEBI

Identity
Molecular formulaC16H15ClN4O2
Molecular weight330.77 g/mol
IUPAC name8-[(E)-2-(3-chlorophenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione
InChIKeyWBWFIUAVMCNYPG-BQYQJAHWSA-N
SMILESCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)/C=C/C3=CC(=CC=C3)Cl

Computed by PubChem (NCBI)