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OT-82 - 98%, high purity , CAS No.1800487-55-1

COA

Grade & Purity:

≥98%

Cas Number: 1800487-55-1
Molecular Weight: 424.5
PubChem CID: 118203189

In stock

Item Number

O419982

Grouped product items
SKU	Size	Availability	Price
O419982-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$296.90
O419982-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$474.90
O419982-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,068.90
O419982-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,484.90

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Basic Description

Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	OT-82 is a novel inhibitor of nicotinamide phosphoribosyltransferase (NAMPT), with an average IC50 of 13.03 nM in non HP cancer cells and 2.89 nM in HP cancer cells.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Phenylpyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Phenylpyridines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyridines
Alternative Parents	Benzamides Benzoyl derivatives Fluorobenzenes N-acyl amines Pyrazoles Heteroaromatic compounds Vinyl fluorides Propargyl-type 1,3-dipolar organic compounds Hydrazones Haloacetylenes and derivatives Fluoroalkenes Carboxylic acid amides Azacyclic compounds Aldimines Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	4-phenylpyridine - Benzoic acid or derivatives - Benzamide - Benzoyl - Halobenzene - Fluorobenzene - Benzenoid - N-acyl-amine - Monocyclic benzene moiety - Heteroaromatic compound - Pyrazole - Azole - Carboxamide group - Haloacetylene or derivatives - Azacycle - Fluoroalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl fluoride - Hydrazone - Carboxylic acid derivative - Aldimine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Imine - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyridin-4-ylbenzamide
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
Smiles	C1=CC(=CC=C1C#CC2=C(C=CC(=C2)C(=O)NCCCC3=CNN=C3)C4=CC=NC=C4)F
Isomeric SMILES	C1=CC(=CC=C1C#CC2=C(C=CC(=C2)C(=O)NCCCC3=CNN=C3)C4=CC=NC=C4)F
Molecular Weight	424.5
Reaxy-Rn	28405804
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28405804&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	424.500 g/mol
XLogP3	4.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	424.17 Da
Monoisotopic Mass	424.17 Da
Topological Polar Surface Area	70.700 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	659.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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