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AG 555

CAT: 0607-B6377-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B6377-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Potent EGFR-kinase inhibitor
CAS Number
133550-34-2
Product Name Alternative
(E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(3-phenylpropyl)acrylamide
Field of Research
Tyrosine Kinase EGFR
Purity
0.98
Form
Yellow solid
Solubility
Soluble in DMSO
Smiles
O=C(/C(C#N)=C/C(C=C1O)=CC=C1O)NCCCC2=CC=CC=C2
Molecular Formula
C19H18N2O3
Molecular Weight
322.36
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Tyrphostin AG 555

Tyrphostin B46 is a potent inhibitor of epidermal growth factor receptor kinase autophosphorylation. (NCI)

CAS Number133550-34-2
PubChem CID5328770
IUPAC Name(E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(3-phenylpropyl)prop-2-enamide
Molecular FormulaC19H18N2O3
Molecular Weight322.4
XLogP3.2
Topological Polar Surface Area93.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity488
SMILES
C1=CC=C(C=C1)CCCNC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N
InChI
InChI=1S/C19H18N2O3/c20-13-16(11-15-8-9-17(22)18(23)12-15)19(24)21-10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,22-23H,4,7,10H2,(H,21,24)/b16-11+
InChIKey
GSQOBTOAOGXIFL-LFIBNONCSA-N
Chemical Structure
2D Structure
2D structure of Tyrphostin AG 555
CAS: 133550-34-2
CID: 5328770
Formula: C19H18N2O3
MW: 322.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.4
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass322.13174244
Monoisotopic Mass322.13174244
Topological Polar Surface Area93.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity488
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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