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Su1498

CAT: 0127-BUP05494-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP05494-01Size:2 mg
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CAS Number
168835-82-3
Synonyms
AG 1498, Tyrphostin SU 1498
Purity
=98%
Smiles
CC(C)c1cc(\C=C(/C#N)C(=O)NCCCc2ccccc2)cc(C(C)C)c1O

Chemical Information

SU 1498

SU1498 is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2E)-2-cyano-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enoic acid with the amino group of 3-phenylpropylamine. It has a role as a vascular endothelial growth factor receptor antagonist. It is a secondary carboxamide, a nitrile, a monocarboxylic acid amide, a member of phenols and an enamide.

CAS Number168835-82-3
PubChem CID5941539
IUPAC Name(E)-2-cyano-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-N-(3-phenylpropyl)prop-2-enamide
Molecular FormulaC25H30N2O2
Molecular Weight390.5
XLogP5.8
Topological Polar Surface Area73.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity577
SMILES
CC(C)C1=CC(=CC(=C1O)C(C)C)/C=C(\C#N)/C(=O)NCCCC2=CC=CC=C2
InChI
InChI=1S/C25H30N2O2/c1-17(2)22-14-20(15-23(18(3)4)24(22)28)13-21(16-26)25(29)27-12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-15,17-18,28H,8,11-12H2,1-4H3,(H,27,29)/b21-13+
InChIKey
JANPYFTYAGTSIN-FYJGNVAPSA-N
Chemical Structure
2D Structure
2D structure of SU 1498
CAS: 168835-82-3
CID: 5941539
Formula: C25H30N2O2
MW: 390.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.5
XLogP35.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass390.230728204
Monoisotopic Mass390.230728204
Topological Polar Surface Area73.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity577
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

Alternative Products

CatalogName
C11984SU1498
A12472-2SU1498 2mg
A12472-100SU1498 100mg
A12472-50SU1498 50mg
A12472-10SU1498 10mg
A12472-25SU1498 25mg
A12472-5SU1498 5mg
A12472-1SU1498 1mg
A12472-10mM-DSU1498 10mM * 1mL in DMSO

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