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Coptisine (Sulfate)

CAT: 0804-HY-N0430A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N0430A-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Coptisine Sulfate is an alkaloid from Chinese goldthread, and acts as an efficient uncompetitive IDO inhibitor with a Ki value of 5.8 μM and an IC50 value of 6.3 μM[1].
CAS Number
1198398-71-8
UNSPSC
12352005
Target
Indoleamine 2,3-Dioxygenase (IDO)
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Cancer; Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/coptisine-sulfate.html
Purity
99.37
Solubility
DMSO : 1 mg/mL (ultrasonic; warming; heat to 60°C) |H2O : 2 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=S(O)([O-])=O.C1(C(CC[N+]2=C1C=C(C=C3)C(C4=C3OCO4)=C2)=C5)=CC6=C5OCO6
Molecular Formula
C19H15NO8S
Molecular Weight
417.39
References & Citations
[1]Yu D, et al. The IDO inhibitor coptisine ameliorates cognitive impairment in a mouse model of Alzheimer's disease. J Alzheimers Dis. 2015;43 (1) :291-302.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Coptisine

Coptisine is a natural product found in Coptis japonica. It has a role as a metabolite.

CAS Number1198398-71-8
PubChem CID72322
IUPAC Name5,7,17,19-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(13),2,4(8),9,14,16(20),21,23-octaene
Molecular FormulaC19H14NO4+
Molecular Weight320.3
XLogP3.5
Topological Polar Surface Area40.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count24
Formal Charge1
Complexity502
SMILES
C1C[N+]2=C(C=C3C=CC4=C(C3=C2)OCO4)C5=CC6=C(C=C51)OCO6
InChI
InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1
InChIKey
XYHOBCMEDLZUMP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Coptisine
CAS: 1198398-71-8
CID: 72322
Formula: C19H14NO4+
MW: 320.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.3
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass320.09228293
Monoisotopic Mass320.09228293
Topological Polar Surface Area40.8 Ų
Heavy Atom Count24
Formal Charge1
Complexity502
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
N2494-20Coptisine Sulfate
371302Coptisine sulfate discontinued
A14719-50Coptisine Sulfate 50mg
A14719-25Coptisine Sulfate 25mg
A14719-10Coptisine Sulfate 10mg
A14719-5Coptisine Sulfate 5mg
N1737-20Coptisine

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