Products 1448221-36-0

CAS 1448221-36-0 is the registry number for A2A/A3 AR antagonist-1. Offered by: MedChemExpress. Available pack sizes: Get quote.

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

3-amino-6-azaniumylidene-9-[2-carboxy-4-[6-[4-[4-[[4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]amino]-4-oxobutyl]triazol-1-yl]hexylcarbamoyl]phenyl]-5-sulfoxanthene-4-sulfonate;bis(N,N-diethylethanamine) (CAS 1448221-36-0) is a chemical compound with the molecular formula C56H71N15O12S2 and a molecular weight of 1210.4 g/mol. IUPAC name: 3-amino-6-azaniumylidene-9-[2-carboxy-4-[6-[4-[4-[[4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]amino]-4-oxobutyl]triazol-1-yl]hexylcarbamoyl]phenyl]-5-sulfoxanthene-4-sulfonate;bis(N,N-diethylethanamine). InChIKey: IOKXPHQDEDXKEP-UHFFFAOYSA-N.

Identity
Molecular formulaC56H71N15O12S2
Molecular weight1210.4 g/mol
IUPAC name3-amino-6-azaniumylidene-9-[2-carboxy-4-[6-[4-[4-[[4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]amino]-4-oxobutyl]triazol-1-yl]hexylcarbamoyl]phenyl]-5-sulfoxanthene-4-sulfonate;bis(N,N-diethylethanamine)
InChIKeyIOKXPHQDEDXKEP-UHFFFAOYSA-N
SMILESCCN(CC)CC.CCN(CC)CC.CN1C=C2C(=N1)N=C(N3C2=NC(=N3)C4=CC=CO4)NC(=O)CCCC5=CN(N=N5)CCCCCCNC(=O)C6=CC(=C(C=C6)C7=C8C=CC(=[NH2+])C(=C8OC9=C7C=CC(=C9S(=O)(=O)[O-])N)S(=O)(=O)O)C(=O)O

Computed by PubChem (NCBI)