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Tyrphostin AG-808

CAT: 0931-T70392-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T70392-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
160953-95-7
Target
Others
Related Pathways
Others
Bioactivity
Tyrphostin AG-808 is a 15-human lipoxygenase inhibitor.
Smiles
C(=C(/C(=O)C1=CC(O)=C(O)C=C1)\C#N)\C=2C=3C(NC2)=CC=CC3
Molecular Formula
C18H12N2O3
Molecular Weight
304.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tyrphostin AG 808
CAS Number160953-95-7
PubChem CID5329275
IUPAC Name(E)-2-(3,4-dihydroxybenzoyl)-3-(1H-indol-3-yl)prop-2-enenitrile
Molecular FormulaC18H12N2O3
Molecular Weight304.3
XLogP3
Topological Polar Surface Area97.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity536
SMILES
C1=CC=C2C(=C1)C(=CN2)/C=C(\C#N)/C(=O)C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C18H12N2O3/c19-9-12(18(23)11-5-6-16(21)17(22)8-11)7-13-10-20-15-4-2-1-3-14(13)15/h1-8,10,20-22H/b12-7+
InChIKey
TTZDOBVWBQXGDC-KPKJPENVSA-N
Chemical Structure
2D Structure
2D structure of Tyrphostin AG 808
CAS: 160953-95-7
CID: 5329275
Formula: C18H12N2O3
MW: 304.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight304.3
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass304.08479225
Monoisotopic Mass304.08479225
Topological Polar Surface Area97.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity536
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