Products for Research Use Only

AG-825

CAT: 0013-GTR19204089-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204089-01Size:1 mg
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Description
AG-825 (Tyrphostin C15) is a selective ErbB2/HER2 inhibitor with an IC50 of 0.35 μM, demonstrating anticancer activity in breast cancer xenograft models. It has also been investigated in neurotoxicity and Alzheimer's disease research, and shown to induce apoptosis in human neutrophils in vitro.
CAS Number
149092-50-2
Product Name Alternative
Apoptosis, AG 825, AG825, AG-825, ErbB2, EGFR, Tyrphostin AG 825, Tyrphostin AG825, Tyrphostin AG-825
Field of Research
Cardiovascular Research, Cell Biology, Neuroscience, Pharmacology & Drug Discovery, Signal Transduction
Purity
98.43% (May vary between batches)
Solubility
10% DMSO+90% Saline:3.3 mg/mL (8.3 mM) ; DMSO:200 mg/mL (503.18 mM)
Smiles
COc1cc (\C=C (/C#N) C (N) =O) cc (CSc2nc3ccccc3s2) c1O
Molecular Formula
C19H15N3O3S2
Molecular Weight
397.47
Storage Conditions
-20°C
Notes
For research use only.

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...
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