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OT-82

CAT: 1410-M33050-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M33050-07Size:100 mg
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Description
OT-82 is a potent, selective, and orally active inhibitor of nicotinamide phosphoribosyltransferase (NAMPT) .
CAS Number
1800487-55-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
424.47
Molecular Formula
C26H21FN4O
Notes
Research use only, not for human use.
Receptor
NAMPT

Chemical Information

OT-82

NAMPT Inhibitor OT-82 is an orally bioavailable, small molecule inhibitor of the nicotinamide adenine dinucleotide (NAD)-synthesizing enzyme nicotinamide phosphoribosyltransferase (NAMPT; NAMPRTase), with potential antineoplastic activity. Upon oral administration, NAMPT inhibitor OT-82 binds to and inhibits the activity of NAMPT. This depletes cellular NAD and inhibits NAD-dependent enzymes, both of which are needed for rapid cell proliferation; this results in cell death in NAMPT-overexpressing cancer cells. NAMPT, an enzyme that is responsible for maintaining the intracellular NAD pool, plays a key role in the regulation of cellular metabolism and has cytokine-like activities. NAMPT is overexpressed in a variety of cancers and metabolic disorders; tumor cells rely on NAMPT activity for their NAD supply.

CAS Number1800487-55-1
PubChem CID118203189
IUPAC Name3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyridin-4-ylbenzamide
Molecular FormulaC26H21FN4O
Molecular Weight424.5
XLogP4.5
Topological Polar Surface Area70.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity659
SMILES
C1=CC(=CC=C1C#CC2=C(C=CC(=C2)C(=O)NCCCC3=CNN=C3)C4=CC=NC=C4)F
InChI
InChI=1S/C26H21FN4O/c27-24-8-4-19(5-9-24)3-6-22-16-23(7-10-25(22)21-11-14-28-15-12-21)26(32)29-13-1-2-20-17-30-31-18-20/h4-5,7-12,14-18H,1-2,13H2,(H,29,32)(H,30,31)
InChIKey
CEPAXRIKSUXHHB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of OT-82
CAS: 1800487-55-1
CID: 118203189
Formula: C26H21FN4O
MW: 424.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.5
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass424.16993947
Monoisotopic Mass424.16993947
Topological Polar Surface Area70.7 Ų
Heavy Atom Count32
Formal Charge0
Complexity659
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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