OT-82

CAT: 0013-GTR19244380-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19244380-01Size:100 mg

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Description

OT-82 is a potent, selective and orally active inhibitor of NAMPT. OT-82 is selectively toxic to cells of hematopoietic origin and induces cell death in a NAD+ dependent manner. OT-82 is a promising antineoplastic agent for the study of hematological malignancies.

CAS Number

1800487-55-1

Purity

>98% (HPLC)

Solubility

In Vitro: DMSO : 100 mg/mL (235.59 mM; Ultrasonic)

Smiles

O=C (NCCCC=1C=NNC1) C=2C=CC (=C (C#CC3=CC=C (F) C=C3) C2) C=4C=CN=CC4

Molecular Formula

C26H21FN4O

Molecular Weight

424.47

Storage Conditions

Storage temperature: -20°C. Stability: ≥ 2 years

Notes

For research use only.

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 Number	1800487-55-1
PubChem CID	118203189
IUPAC Name	3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyridin-4-ylbenzamide
Molecular Formula	C26H21FN4O
Molecular Weight	424.5
XLogP	4.5
Topological Polar Surface Area	70.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	32
Formal Charge	0
Complexity	659

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

CAS: 1800487-55-1

CID: 118203189

Formula: C26H21FN4O

MW: 424.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	424.5
XLogP3	4.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	424.16993947
Monoisotopic Mass	424.16993947
Topological Polar Surface Area	70.7 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	659
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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