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WB436B

CAT: 0013-GTR19239047-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239047-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
WB436B is a potent and selective STAT3 inhibitor that blocks STAT3-Tyr705 phosphorylation and downstream target gene expression. It induces apoptosis in pancreatic cancer cells in vitro and has demonstrated efficacy in suppressing tumor growth and metastasis in mouse models, supporting its use in oncology research.
CAS Number
2248552-84-1
Field of Research
Cell Biology, Signal Transduction, Stem Cell & Developmental Biology
Smiles
N#CC1=C (SC2=C1CCN (C (=O) NC=3C=CC=CC3OC) C2) NC (=O) C=4C=NN (C4) C
Molecular Formula
C21H20N6O3S
Molecular Weight
436.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-cyano-N-(2-methoxyphenyl)-2-[(1-methylpyrazole-4-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CAS Number2248552-84-1
PubChem CID155077177
IUPAC Name3-cyano-N-(2-methoxyphenyl)-2-[(1-methylpyrazole-4-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
Molecular FormulaC21H20N6O3S
Molecular Weight436.5
XLogP2.1
Topological Polar Surface Area141
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity729
SMILES
CN1C=C(C=N1)C(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)NC4=CC=CC=C4OC)C#N
InChI
InChI=1S/C21H20N6O3S/c1-26-11-13(10-23-26)19(28)25-20-15(9-22)14-7-8-27(12-18(14)31-20)21(29)24-16-5-3-4-6-17(16)30-2/h3-6,10-11H,7-8,12H2,1-2H3,(H,24,29)(H,25,28)
InChIKey
GSAGESLSAFFQGT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-cyano-N-(2-methoxyphenyl)-2-[(1-methylpyrazole-4-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CAS: 2248552-84-1
CID: 155077177
Formula: C21H20N6O3S
MW: 436.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight436.5
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass436.13175969
Monoisotopic Mass436.13175969
Topological Polar Surface Area141 Ų
Heavy Atom Count31
Formal Charge0
Complexity729
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
HY-164546-01WB436B

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