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Adenosine Kinase inhibitor - ≥90%, high purity , CAS No.214697-26-4, Inhibitor of Adenosine kinase

COA

Grade & Purity:

Moligand™

≥90%

Cas Number: 214697-26-4
Molecular Weight: 536.3
PubChem CID: 16760265

In stock

Item Number

A335090

Grouped product items
SKU	Size	Availability	Price	Qty
A335090-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$291.90

a cell-permeable compound that acts as a potent adenosine kinase inhibitor

View related series

Adenosine kinase Inhibitor (2)

Basic Description

Synonyms	BCP26047 \| 5-(3-Bromophenyl)-7-[6-(4-morpholinyl)-3-pyrido[2,3-d]byrimidin-4-amine dihydrochloride \| ABT702 \| 1188890-28-9 \| BCP20900 \| BS-14522 \| J-014088 \| ABT 702 Dihydrochloride; ABT 702; ABT-702; ABT702 \| ABT702 pound>>ABT 702 pound>>ABT-702 \| 4-amin
Specifications & Purity	Moligand™, ≥90%
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.
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of Adenosine kinase
Product Description	Adenosine Kinase Inhibitor is a cell-permeable, non-nucleoside pyridopyrimidine compound that acts as a potent, adenosine-competitive, and reversible ADK (adenosine kinase (AK)) inhibitor (IC\|50\|= 50.7 nM using intact IMR-32 cells and 1.7 nM in cell-free assays using rat brain cytosolic AK). The inhibitory effect is not species-specific and its pharmacological selectivity is confirmed using a panel of more than 80 other enzymes, ion channels, and receptors, including various adesine receptors.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Bipyridines and oligopyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Bipyridines and oligopyridines
Intermediate Tree Nodes	Not available
Direct Parent	Bipyridines and oligopyridines
Alternative Parents	Pyrido[2,3-d]pyrimidines Dialkylarylamines Bromobenzenes Aminopyridines and derivatives 2-halopyridines Pyrimidines and pyrimidine derivatives Morpholines Imidolactams Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Primary amines Organopnictogen compounds Organobromides Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Bipyridine - Pyrido[2,3-d]pyrimidine - Pyridopyrimidine - Dialkylarylamine - Tertiary aliphatic/aromatic amine - 2-halopyridine - Halobenzene - Bromobenzene - Aminopyridine - Imidolactam - Benzenoid - Pyrimidine - Oxazinane - Morpholine - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary amine - Oxacycle - Azacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.
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

Associated Targets(Human)

ADK Tchem Adenosine kinase (1 Activities)

Discover Target: ADK

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Names and Identifiers

IUPAC Name	5-(3-bromophenyl)-7-(6-morpholin-4-ylpyridin-3-yl)pyrido[2,3-d]pyrimidin-4-amine;dihydrochloride
INCHI	InChI=1S/C22H19BrN6O.2ClH/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29;;/h1-5,10-13H,6-9H2,(H2,24,26,27,28);2*1H
InChIKey	OOXNYFKPOPJIOT-UHFFFAOYSA-N
Smiles	C1COCCN1C2=NC=C(C=C2)C3=NC4=NC=NC(=C4C(=C3)C5=CC(=CC=C5)Br)N.Cl.Cl
Isomeric SMILES	C1COCCN1C2=NC=C(C=C2)C3=NC4=NC=NC(=C4C(=C3)C5=CC(=CC=C5)Br)N.Cl.Cl
WGK Germany	3
PubChem CID	16760265
Molecular Weight	536.3

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	Soluble in DMSO (24 mg/ml). Insoluble in water.
Melt Point(°C)	227-245° C (lit.)
Molecular Weight	536.200 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	534.034 Da
Monoisotopic Mass	534.034 Da
Topological Polar Surface Area	90.100 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	564.000
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	3

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