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Tyrphostin AG 879

CAT: 0013-GTR19160500-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160500-01Size:200 mg
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Description
AG-879 is a tyrphostin compound that inhibits nerve growth factor-dependent TrkA tyrosine phosphorylation in PC-12 cells, HER2-ErbB2 kinase in several breast and ovarian cancer cell lines, and the VEGF receptor FLK1. It decreases cellular proliferation in human muscular sarcoma cell lines.
CAS Number
148741-30-4
Product Name Alternative
Val-boroPro (mesylate) | PT100 (mesylate)
Purity
>98% (HPLC)
Solubility
DMSO : ≥ 30 mg/mL. 94.80 mM
Smiles
Oc1c (C (C) (C) C) cc (/C=C (\C#N) /C (=S) N) cc1C (C) (C) C
Molecular Formula
C18H24N2OS
Molecular Weight
316.46
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
2-Propenethioamide, 3- (3,5-bis (1,1-dimethylethyl) -4-hydroxyphenyl) -2-cyano-, (E) -

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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