AG 825

CAT: 0957-E4449-5mgSize: 5 mgDry Ice: NoHazardous: No

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CAT#:0957-E4449-5mgSize:5 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 Number	149092-50-2
PubChem CID	6091659
IUPAC Name	(E)-3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-hydroxy-5-methoxyphenyl]-2-cyanoprop-2-enamide
Molecular Formula	C19H15N3O3S2
Molecular Weight	397.5
XLogP	3.6
Topological Polar Surface Area	163
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	27
Formal Charge	0
Complexity	621

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

CAS: 149092-50-2

CID: 6091659

Formula: C19H15N3O3S2

MW: 397.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	397.5
XLogP3	3.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	397.05548370
Monoisotopic Mass	397.05548370
Topological Polar Surface Area	163 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	621
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
S8297-2mg	ARV-825
S8297-25mg	ARV-825
S8297-100mg	ARV-825
S8297-1g	ARV-825
S8297-10mM/1mL	ARV-825
S8297-01	ARV-825
S8297-5mg	ARV-825
S0151	AG-1557
S1143-10mM/1mL	AG-490
S1234-10mM/1mL	AG-1024

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AG 825

Chemical Information

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