Palmatine

• CAS: 3486-67-7
• Catalog Number: ACM3486677
• Category: Inhibitors
• Molecular Weight: 352.4
• Molecular Formula: C21H22NO4
• Description: Palmatine is an orally active and irreversible indoleamine 2,3-dioxygenase 1 (IDO-1) inhibitor with IC50s of 3 μM and 157μM against HEK 293-hIDO-1 and rhIDO-1, respectively. Palmatine can also inhibit West Nile virus (WNV) NS2B-NS3 protease in an uncompetitive manner with an IC50 of 96 μM. Palmatine shows anti-cancer, anti-oxidation, anti-inflammatory, neuroprotection, antibacterial, anti-viral activities.
• Synonyms: 5,6-Dihydro-2,3,9,10-tetramethoxydibenzo[a,g]quinolizinium
• IUPAC Name: 2,3,9,10-Tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium
• Canonical SMILES: COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OC
• InChI: InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1
• InChI Key: QUCQEUCGKKTEBI-UHFFFAOYSA-N
• Melting Point: 205 °C
• Appearance: Powder
• Active Content: 95%
• Assay: 0.98
• Complexity: 475
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Exact Mass: 352.15488318
• Heavy Atom Count: 26
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 0
• Monoisotopic Mass: 352.15488318
• Packaging: 1 kg
• Physical State: Powder
• Rotatable Bond Count: 4
• Topological Polar Surface Area: 40.8 Ų