1. Primary Information
| English name: | Tyrphostin B42 |
| CAS No.: | 133550-30-8 |
| Molecular formula: | C17H14N2O3 |
| Molecular weight: | 294.30 g/mol |
| SMILES: | C1=CC=C(C=C1)CNC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N |
| Structural class: | |
| Other identifiers: |
AG 490 AG-490 AG490 alpha-cyano-(3,4-dihydroxy)-N-benzylcinnamide n-benzyl-3,4-dihydroxy-benzylidenecyanoacetamide |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 10mg | HPLC≥98% | 240 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | ≥98% | 144 | -20℃ | in stock | - |
| Kehua Intelligence | 50mg | ≥98% | 320 | -20℃ | in stock | - |
| Kehua Intelligence | 500mg | ≥98% | 1200 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide
4.2 InChI
InChI=1S/C17H14N2O3/c18-10-14(8-13-6-7-15(20)16(21)9-13)17(22)19-11-12-4-2-1-3-5-12/h1-9,20-21H,11H2,(H,19,22)/b14-8+
4.3 InChIKey
TUCIOBMMDDOEMM-RIYZIHGNSA-N
4.4 Canonical SMILES
C1=CC=C(C=C1)CNC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N
4.5 Isomeric SMILES
C1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
