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133550-37-5 | (2E)-2-Cyano-3-(3,4-Dihydroxyphenyl)-N-[(1S)-1-Phenylethyl]-2-Propenamide
CAS No: 133550-37-5 Catalog No: AG003988 MDL No:MFCD00209855
Product Description
Catalog Number:
AG003988
Chemical Name:
(2E)-2-Cyano-3-(3,4-Dihydroxyphenyl)-N-[(1S)-1-Phenylethyl]-2-Propenamide
CAS Number:
133550-37-5
Molecular Formula:
C18H16N2O3
Molecular Weight:
308.3312
MDL Number:
MFCD00209855
IUPAC Name:
(E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
InChI:
InChI=1S/C18H16N2O3/c1-12(14-5-3-2-4-6-14)20-18(23)15(11-19)9-13-7-8-16(21)17(22)10-13/h2-10,12,21-22H,1H3,(H,20,23)/b15-9+/t12-/m0/s1
InChI Key:
UMGQVUWXNOJOSJ-DGGAMASNSA-N
SMILES:
N#C/C(=C\c1ccc(c(c1)O)O)/C(=O)N[C@H](c1ccccc1)C
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Exact Mass:
308.116g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
308.337g/mol
Monoisotopic Mass:
308.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| S-adenosylmethionine-dependent protein methylation in mammalian cytosol via tyrphostin modification by catechol-O-methyltransferase. | The Journal of biological chemistry 20071019 |
| Sustained ER Ca2+ depletion suppresses protein synthesis and induces activation-enhanced cell death in mast cells. | The Journal of biological chemistry 20020419 |
| Tyrphostins. 2. Heterocyclic and alpha-substituted benzylidenemalononitrile tyrphostins as potent inhibitors of EGF receptor and ErbB2/neu tyrosine kinases. | Journal of medicinal chemistry 19910601 |
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