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Misetionamide

CAT: 0013-GTR19212680-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212680-02Size:5 mg
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Description
Misetionamide is an orally bioavailable oxathiazin-based small molecule that acts as a glyceraldehyde-3-phosphate dehydrogenase (GAPDH) inhibitor. Its antineoplastic properties make it a useful tool for investigating cancer metabolism in both in vitro and in vivo experimental models.
CAS Number
856785-75-6
Field of Research
Cell Biology, Metabolism Research
Purity
99.65% (May vary between batches)
Smiles
O=S1 (=O) NCOCC1
Molecular Formula
C3H7NO3S
Molecular Weight
137.16
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Misetionamide

Misetionamide is an oxathiazine-based structural analogue of taurultam (TRLT), which is the main derivative of the anti-infective agent taurolidine (TRD), with potential antineoplastic activity. Upon administration,misetionamide selectively induces reactive oxygen species (ROS)-mediated apoptosis in and inhibits proliferation of susceptible tumor cells.

CAS Number856785-75-6
PubChem CID66625329
IUPAC Name1,4,3-oxathiazinane 4,4-dioxide
Molecular FormulaC3H7NO3S
Molecular Weight137.16
XLogP-0.9
Topological Polar Surface Area63.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity156
SMILES
C1CS(=O)(=O)NCO1
InChI
InChI=1S/C3H7NO3S/c5-8(6)2-1-7-3-4-8/h4H,1-3H2
InChIKey
GHDARLKSYBCZRE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Misetionamide
CAS: 856785-75-6
CID: 66625329
Formula: C3H7NO3S
MW: 137.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight137.16
XLogP3-0.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass137.01466426
Monoisotopic Mass137.01466426
Topological Polar Surface Area63.8 Ų
Heavy Atom Count8
Formal Charge0
Complexity156
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

Alternative Products

CatalogName
BA2980-100Misetionamide

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