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UK 5099

CAT: 0957-S5317-1gSize: 1 gDry Ice: YesHazardous: No
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CAT#:0957-S5317-1gSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
56396-35-1
Synonyms
PF-1005023
Target
Mitochondrial pyruvate carrier
Applications
Metabolism
Smiles
C1=CC=C (C=C1) N2C=C (C3=CC=CC=C32) C=C (C#N) C (=O) O
Molecular Formula
C18H12N2O2
Additionnal Information
UK5099 (PF-1005023) is a potent inhibitor of the mitochondrial pyruvate carrier, inhibiting pyruvate transport across the plasma membrane of trypanosomes with Ki value of 49 μM.
Storage Conditions
2 years -80 in solvent

Chemical Information

2-Cyano-3-(1-phenylindol-3-yl)acrylate

UK-5099 is a member of thiazolidinediones.

CAS Number56396-35-1
PubChem CID6438504
IUPAC Name(E)-2-cyano-3-(1-phenylindol-3-yl)prop-2-enoic acid
Molecular FormulaC18H12N2O2
Molecular Weight288.3
XLogP3.5
Topological Polar Surface Area66
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity498
SMILES
C1=CC=C(C=C1)N2C=C(C3=CC=CC=C32)/C=C(\C#N)/C(=O)O
InChI
InChI=1S/C18H12N2O2/c19-11-13(18(21)22)10-14-12-20(15-6-2-1-3-7-15)17-9-5-4-8-16(14)17/h1-10,12H,(H,21,22)/b13-10+
InChIKey
BIZNHCWFGNKBBZ-JLHYYAGUSA-N
Chemical Structure
2D Structure
2D structure of 2-Cyano-3-(1-phenylindol-3-yl)acrylate
CAS: 56396-35-1
CID: 6438504
Formula: C18H12N2O2
MW: 288.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.3
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass288.089877630
Monoisotopic Mass288.089877630
Topological Polar Surface Area66 Ų
Heavy Atom Count22
Formal Charge0
Complexity498
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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