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AG 825

CAT: 0957-E4449-100mgSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0957-E4449-100mgSize:100 mg
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CAS Number
149092-50-2
Synonyms
Tyrphostin AG-825
Target
EGFR
Applications
Protein Tyrosine Kinase
Molecular Formula
C19H15N3O3S2
Additionnal Information
AG-825 (Tyrphostin AG-825) is a potent and selective inhibitor of ErbB2 with IC50 values of 0.15 μM. It also inhibits PDGFR autophosphorylation with IC50 value of 40 μM. It exhibits anti-cancer activity and significantly induces apoptosis in cancer cells.

Chemical Information

tyrphostin AG 825

Tyrphostin AG 825 is an organic sulfide that consists of 1,3-benzothiazole-2-thiol in which the hydrogen attached to the sulfur atom is replaced by a 5-[(1E)-3-amino-2-cyano-3-oxoprop-1-en-1-yl]-2-hydroxy-3-methoxybenzyl group. It acts as an epidermal growth factor receptor antagonist. It has a role as an epidermal growth factor receptor antagonist. It is a primary carboxamide, an organic sulfide, a nitrile, a member of phenols, an aromatic ether, a member of benzothiazoles and an enamide. It is functionally related to a 1,3-benzothiazole-2-thiol.

CAS Number149092-50-2
PubChem CID6091659
IUPAC Name(E)-3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-hydroxy-5-methoxyphenyl]-2-cyanoprop-2-enamide
Molecular FormulaC19H15N3O3S2
Molecular Weight397.5
XLogP3.6
Topological Polar Surface Area163
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity621
SMILES
COC1=CC(=CC(=C1O)CSC2=NC3=CC=CC=C3S2)/C=C(\C#N)/C(=O)N
InChI
InChI=1S/C19H15N3O3S2/c1-25-15-8-11(6-12(9-20)18(21)24)7-13(17(15)23)10-26-19-22-14-4-2-3-5-16(14)27-19/h2-8,23H,10H2,1H3,(H2,21,24)/b12-6+
InChIKey
KXDONFLNGBQLTN-WUXMJOGZSA-N
Chemical Structure
2D Structure
2D structure of tyrphostin AG 825
CAS: 149092-50-2
CID: 6091659
Formula: C19H15N3O3S2
MW: 397.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.5
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass397.05548370
Monoisotopic Mass397.05548370
Topological Polar Surface Area163 Ų
Heavy Atom Count27
Formal Charge0
Complexity621
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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