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LLP-3

CAT: 0013-GTR19192061-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19192061-01Size:1 mg
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Description
LLP-3
CAS Number
1453835-43-2
Field of Research
Cell Biology
Purity
98.15% (May vary between batches)
Smiles
N#CC=1C (=O) NC (=CC1C=2C=C (OCC=3C=CC=CC3) C=C (OCC=4C=CC=CC4) C2) C=5C=C (Cl) C=CC5O
Molecular Formula
C32H23ClN2O4
Molecular Weight
534.99
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-(3,5-Bis(benzyloxy)phenyl)-6-(5-chloro-2-hydroxyphenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile

LLP-3 is a pyridone that is pyridin-2(1H)-one which is substituted at positions 3, 4, and 6 by cyano, 3,5-bis(benzyloxy)phenyl, and 5-chloro-2-hydroxyphenyl groups, respectively. It is an inhibitor for Survivin-Ran protein complex. It has a role as an inhibitor, an antineoplastic agent, an antimitotic and a survivin dimerisation modulator. It is a hydroxynitrile, a member of phenols, an aromatic ether, a pyridone, a benzyl ether and a member of monochlorobenzenes.

CAS Number1453835-43-2
PubChem CID56935694
IUPAC Name4-[3,5-bis(phenylmethoxy)phenyl]-6-(5-chloro-2-hydroxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
Molecular FormulaC32H23ClN2O4
Molecular Weight535.0
XLogP6.2
Topological Polar Surface Area91.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count39
Formal Charge0
Complexity928
SMILES
C1=CC=C(C=C1)COC2=CC(=CC(=C2)C3=C(C(=O)NC(=C3)C4=C(C=CC(=C4)Cl)O)C#N)OCC5=CC=CC=C5
InChI
InChI=1S/C32H23ClN2O4/c33-24-11-12-31(36)28(15-24)30-17-27(29(18-34)32(37)35-30)23-13-25(38-19-21-7-3-1-4-8-21)16-26(14-23)39-20-22-9-5-2-6-10-22/h1-17,36H,19-20H2,(H,35,37)
InChIKey
NZRBRJQYGLEINZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(3,5-Bis(benzyloxy)phenyl)-6-(5-chloro-2-hydroxyphenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS: 1453835-43-2
CID: 56935694
Formula: C32H23ClN2O4
MW: 535.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight535.0
XLogP36.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass534.1346349
Monoisotopic Mass534.1346349
Topological Polar Surface Area91.6 Ų
Heavy Atom Count39
Formal Charge0
Complexity928
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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