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Tyrphostin AG 879

CAT: 0931-T6712-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T6712-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
148741-30-4
Target
PDGFR, Apoptosis, HER, EGFR, Trk receptor
Related Pathways
JAK/STAT signaling, Tyrosine Kinase/Adaptors, Angiogenesis, Apoptosis
Purity
0.9905
Bioactivity
Tyrphostin AG 879 (AG 879) effectively inhibits HER2/ErbB2 with an IC50 of 1 μM, demonstrating 100- and 500-fold higher selectivity for ErbB2 over EGFR and PDGFR, respectively.
Smiles
CC(C)(C)c1cc(\C=C(/C#N)C(N)=S)cc(c1O)C(C)(C)C
Molecular Formula
C18H24N2OS
Molecular Weight
316.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Propenethioamide, 3-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-2-cyano-, (E)-

3-amino-2-[(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-3-mercapto-2-propenenitrile is a monoterpenoid.

CAS Number148741-30-4
PubChem CID135419190
IUPAC Name(E)-2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enethioamide
Molecular FormulaC18H24N2OS
Molecular Weight316.5
XLogP4.7
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity477
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C(\C#N)/C(=S)N
InChI
InChI=1S/C18H24N2OS/c1-17(2,3)13-8-11(7-12(10-19)16(20)22)9-14(15(13)21)18(4,5)6/h7-9,21H,1-6H3,(H2,20,22)/b12-7+
InChIKey
XRZYELWZLNAXGE-KPKJPENVSA-N
Chemical Structure
2D Structure
2D structure of 2-Propenethioamide, 3-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-2-cyano-, (E)-
CAS: 148741-30-4
CID: 135419190
Formula: C18H24N2OS
MW: 316.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.5
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass316.16093457
Monoisotopic Mass316.16093457
Topological Polar Surface Area102 Ų
Heavy Atom Count22
Formal Charge0
Complexity477
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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