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AG-825

CAT: 0127-BUP08991-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP08991-01Size:5 mg
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CAS Number
149092-50-2
Synonyms
Tyrphostin AG-825
Purity
=98%
Smiles
COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2nc3ccccc3s2)c1O

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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Alternative Products

CatalogName
A24036-100AG-825 (Tyrphostin AG-825) 100mg
A24036-50AG-825 (Tyrphostin AG-825) 50mg
A24036-10AG-825 (Tyrphostin AG-825) 10mg
B6788-50AG 825
BA2881-50AG-825
A24036-5AG-825 (Tyrphostin AG-825) 5mg

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