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PTPN2-IN-1

CAT: 0804-HY-163596Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-163596Size:1 Each
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Description
PTPN2-IN-1 (compound 4) is a PTPN2 inhibitor with the IC50 ≤5 μM. PTPN2-IN-1 inhibits cell growth of B16F10[1].
CAS Number
3033936-66-9
UNSPSC
12352005
Target
Phosphatase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/ptpn2-in-1.html
Smiles
O=C(C1=CC2=C(F)C(N3CC(NS3(=O)=O)=O)=C(O)C=C2S1)NCCC4CC4
Molecular Formula
C16H16FN3O5S2
Molecular Weight
413.44
References & Citations
[1]Gu Zhengsong, et al. Protein tyrosine phosphatase inhibitor, preparation method therefor, and pharmaceutical use thereof. WO2024067802A1.2024-04-04.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Ptpn2-IN-1
CAS Number3033936-66-9
PubChem CID171714327
IUPAC NameN-(2-cyclopropylethyl)-4-fluoro-6-hydroxy-5-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)-1-benzothiophene-2-carboxamide
Molecular FormulaC16H16FN3O5S2
Molecular Weight413.4
XLogP2.2
Topological Polar Surface Area152
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity726
SMILES
C1CC1CCNC(=O)C2=CC3=C(S2)C=C(C(=C3F)N4CC(=O)NS4(=O)=O)O
InChI
InChI=1S/C16H16FN3O5S2/c17-14-9-5-12(16(23)18-4-3-8-1-2-8)26-11(9)6-10(21)15(14)20-7-13(22)19-27(20,24)25/h5-6,8,21H,1-4,7H2,(H,18,23)(H,19,22)
InChIKey
FXEPXYALVAYWCA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ptpn2-IN-1
CAS: 3033936-66-9
CID: 171714327
Formula: C16H16FN3O5S2
MW: 413.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight413.4
XLogP32.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass413.05154113
Monoisotopic Mass413.05154113
Topological Polar Surface Area152 Ų
Heavy Atom Count27
Formal Charge0
Complexity726
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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