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AB-MECA , CAS No.152918-26-8, Agonist of A 2A receptor;Agonist of A 3 receptor

COA

Grade & Purity:

Moligand™

Cas Number: 152918-26-8
Molecular Weight: 399.4
PubChem CID: 5310992

In stock

Item Number

A353805

Grouped product items
SKU	Size	Availability	Price	Qty
A353805-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$70.90

a high affinity A3 adenosine receptor agonist

View related series

A2A receptor Agonist (32) A3 receptor Agonist (35) Adenosine Receptor (113) Class A GPCR (4138) GPCR/G Protein (3172)

Basic Description

Synonyms	LDYMCRRFCMRFKB-MOROJQBDSA-N \| 5-[6-[(4-aminophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide \| NCGC00162075-03 \| NCGC00162075-01 \| GTPL416 \| MS-26768 \| BDBM21242 \| F85315 \| NCGC00162075-02 \| Q27074104 \| AB-MECA, solid \| NCGC00162
Specifications & Purity	Moligand™
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	AGONIST
Mechanism of action	Agonist of A 2A receptor;Agonist of A 3 receptor
Product Description	This is a high affinity A3 adenosine receptor agonist.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Nucleosides, nucleotides, and analogues
  - Class Purine nucleosides

Kingdom	Organic compounds
Superclass	Nucleosides, nucleotides, and analogues
Class	Purine nucleosides
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Purine nucleosides
Alternative Parents	6-alkylaminopurines Glycosylamines Aniline and substituted anilines Benzylamines Aminopyrimidines and derivatives Imidolactams N-substituted imidazoles Oxolanes Heteroaromatic compounds Secondary carboxylic acid amides 1,2-diols Secondary alcohols Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Carbonyl compounds Primary amines Hydrocarbon derivatives Organic oxides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Purine nucleoside - Glycosyl compound - N-glycosyl compound - 6-alkylaminopurine - 6-aminopurine - Imidazopyrimidine - Purine - Benzylamine - Aniline or substituted anilines - Aminopyrimidine - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Imidolactam - Benzenoid - Oxolane - Azole - Imidazole - Heteroaromatic compound - Amino acid or derivatives - Secondary carboxylic acid amide - Secondary alcohol - 1,2-diol - Carboxamide group - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Primary amine - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as purine nucleosides. These are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety.
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)

ADORA2A Tclin Adenosine receptor A2a (1 Activities)

Discover Target: ADORA2A

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

ADORA3 Tchem Adenosine receptor A3 (1 Activities)

Discover Target: ADORA3

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

Names and Identifiers

IUPAC Name	(2S,3S,4R,5R)-5-[6-[(4-aminophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide
INCHI	InChI=1S/C18H21N7O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-2-4-10(19)5-3-9/h2-5,7-8,12-14,18,26-27H,6,19H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
InChIKey	LDYMCRRFCMRFKB-MOROJQBDSA-N
Smiles	CNC(=O)C1C(C(C(O1)N2C=NC3=C(N=CN=C32)NCC4=CC=C(C=C4)N)O)O
Isomeric SMILES	CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NCC4=CC=C(C=C4)N)O)O
WGK Germany	3
Molecular Weight	399.4
Reaxy-Rn	24875399
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24875399&ln=

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 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.3 mg/mL: ethanol: 1 mg/mL: DMSO: 10 mg/mL: dilute aqueous base: 3.5 mg/mL: water: insoluble
Molecular Weight	399.400 g/mol
XLogP3	-0.400
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Exact Mass	399.166 Da
Monoisotopic Mass	399.166 Da
Topological Polar Surface Area	160.000 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	576.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
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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