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Tegeprotafib

CAT: 1410-M37224-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M37224-03Size:10 mg
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Description
Tegeprotafib (PTPN2/1-IN-1, Compound 124) is an orally active inhibitor targeting both PTPN2 and PTPN1B, with potent IC50 values of 4.4 nM for PTPN2 and 1-10 nM for PTPN1B, respectively .
CAS Number
2407610-46-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
326.3
Molecular Formula
C13H11FN2O5S
Notes
Research use only, not for human use.
Receptor
Phosphatase

Chemical Information

Tegeprotafib

Tegeprotafib is a small molecule drug. Tegeprotafib has a monoisotopic molecular weight of 326.04 Da.

CAS Number2407610-46-0
PubChem CID153379950
IUPAC Name5-(1-fluoro-3-hydroxy-7-methoxynaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
Molecular FormulaC13H11FN2O5S
Molecular Weight326.30
XLogP1.4
Topological Polar Surface Area104
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity551
SMILES
COC1=CC2=C(C(=C(C=C2C=C1)O)N3CC(=O)NS3(=O)=O)F
InChI
InChI=1S/C13H11FN2O5S/c1-21-8-3-2-7-4-10(17)13(12(14)9(7)5-8)16-6-11(18)15-22(16,19)20/h2-5,17H,6H2,1H3,(H,15,18)
InChIKey
CPLSFGHDGOFDRP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tegeprotafib
CAS: 2407610-46-0
CID: 153379950
Formula: C13H11FN2O5S
MW: 326.30
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight326.30
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass326.03727079
Monoisotopic Mass326.03727079
Topological Polar Surface Area104 Ų
Heavy Atom Count22
Formal Charge0
Complexity551
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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