Structure

Palmatine

CAS
3486-67-7
Catalog Number
ACM3486677
Category
Inhibitors
Molecular Weight
352.4
Molecular Formula
C21H22NO4

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Specification

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
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