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N-desmethyl Rosiglitazone

CAT: 0931-T35717Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T35717Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
257892-31-2
Target
Drug Metabolite, PPAR, Cytochromes P450, Others
Related Pathways
Others, DNA Damage/DNA Repair, Metabolism
Bioactivity
N-desmethyl Rosiglitazone is a major metabolite of rosiglitazone , a potent and selective PPARγ ligand present in formulations that have been used to treat type 2 diabetes. Rosiglitazone is metabolized by the cytochrome P450 (CYP) isoform CYP2C8 to form N-desmethyl rosiglitazone.
Smiles
O=C1NC(=O)C(Cc2ccc(OCCNc3ccccn3)cc2)S1
Molecular Formula
C17H17N3O3S
Molecular Weight
343.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-Desmethyl Rosiglitazone

N-desmethylrosiglitazone is an aromatic ether.

CAS Number257892-31-2
PubChem CID12000328
IUPAC Name5-[[4-[2-(pyridin-2-ylamino)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Molecular FormulaC17H17N3O3S
Molecular Weight343.4
XLogP3
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity441
SMILES
C1=CC=NC(=C1)NCCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3
InChI
InChI=1S/C17H17N3O3S/c21-16-14(24-17(22)20-16)11-12-4-6-13(7-5-12)23-10-9-19-15-3-1-2-8-18-15/h1-8,14H,9-11H2,(H,18,19)(H,20,21,22)
InChIKey
ZJQTVMXUIGXRMR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Desmethyl Rosiglitazone
CAS: 257892-31-2
CID: 12000328
Formula: C17H17N3O3S
MW: 343.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight343.4
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass343.09906259
Monoisotopic Mass343.09906259
Topological Polar Surface Area106 Ų
Heavy Atom Count24
Formal Charge0
Complexity441
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
CS-O-05872N-Desmethyl Rosiglitazone
sc-219128N-Desmethyl Rosiglitazone-d4
464824-01Rosiglitazone N- (2-Succinic Acid)
TRC-R693510-25MGRosiglitazone N-(2-Succinic Acid)
AR-R11388-01N- (1,2-Dicarboxyethyl) Rosiglitazone
MBS6063050-01N-Desmethyl Rosiglitazone (5-[[4-[2-(2-pyridinylamino]ethoxy]phenyl]methyl]-2,4-thiazolidinedione)
D3218-50N-Desmethyl Rosiglitazone _x000B_ (5-[[4-[2- (2-pyridinylamino]ethoxy]phenyl]methyl]-2,4-thiazolidinedione)
A4304-25Rosiglitazone

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