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N6-2-(4-Aminophenyl)ethyladenosine - 97%, high purity , CAS No.89705-21-5

COA

Grade & Purity:

≥97%

Cas Number: 89705-21-5
Molecular Weight: 386.41
PubChem CID: 9952135

In stock

Item Number

N346539

Grouped product items
SKU	Size	Availability	Price
N346539-5mg	5mg	3	$27.90
N346539-10mg	10mg	3	$39.90
N346539-25mg	25mg	2	$61.90
N346539-50mg	50mg	1	$109.90
N346539-100mg	100mg	1	$199.90

View related series

Adenosine Receptor (113) Class A GPCR (4138) GPCR/G Protein (3172)

Basic Description

Synonyms	APNEA \| (2R,3R,4S,5R)-2-[6-[2-(4-aminophenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Specifications & Purity	≥97%
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.
Product Description	A potent, non-selective 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	Glycosylamines 6-alkylaminopurines Pentoses Aniline and substituted anilines Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Oxolanes Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Primary amines Primary alcohols Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Purine nucleoside - Glycosyl compound - N-glycosyl compound - 6-alkylaminopurine - 6-aminopurine - Pentose monosaccharide - Imidazopyrimidine - Purine - Aniline or substituted anilines - Aminopyrimidine - Monocyclic benzene moiety - Monosaccharide - N-substituted imidazole - Imidolactam - Pyrimidine - Benzenoid - Azole - Oxolane - Heteroaromatic compound - Imidazole - Secondary alcohol - Azacycle - Organoheterocyclic compound - Oxacycle - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Primary amine - Primary alcohol - Organic oxygen compound - Alcohol - 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)

ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

Discover Target: ADORA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADORA2A Tclin Adenosine A2a receptor (16305 Activities)

Discover Target: ADORA2A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

Discover Target: ADORA3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADORA1 Tclin Adenosine receptors; A1 & A3 (1051 Activities)

Discover Target: ADORA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PGK1 Tchem Phosphoglycerate kinase (287 Activities)

Discover Target: PGK1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Adora2a Adenosine receptor A2a and A3 (172 Activities)

Discover Target: Adora2a

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	(2R,3R,4S,5R)-2-[6-[2-(4-aminophenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
INCHI	InChI=1S/C18H22N6O4/c19-11-3-1-10(2-4-11)5-6-20-16-13-17(22-8-21-16)24(9-23-13)18-15(27)14(26)12(7-25)28-18/h1-4,8-9,12,14-15,18,25-27H,5-7,19H2,(H,20,21,22)/t12-,14-,15-,18-/m1/s1
InChIKey	XTPOZVLRZZIEBW-SCFUHWHPSA-N
Smiles	C1=CC(=CC=C1CCNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O)N
Isomeric SMILES	C1=CC(=CC=C1CCNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N
Molecular Weight	386.41
Reaxy-Rn	24736992
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24736992&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

10 results found

Lot Number	Certificate Type	Date	Item
H2416278	Certificate of Analysis	May 07, 2024	N346539
H2416279	Certificate of Analysis	May 07, 2024	N346539
H2416280	Certificate of Analysis	May 07, 2024	N346539
H2416281	Certificate of Analysis	May 07, 2024	N346539
H2416282	Certificate of Analysis	May 07, 2024	N346539
H2416283	Certificate of Analysis	May 07, 2024	N346539
H2416284	Certificate of Analysis	May 07, 2024	N346539
H2416285	Certificate of Analysis	May 07, 2024	N346539
H2416286	Certificate of Analysis	May 07, 2024	N346539
H2416287	Certificate of Analysis	May 07, 2024	N346539

Chemical and Physical Properties

Solubility	Slightly soluble in methanol: 0.2 mg/mL, Soluble in 0.1 M HCl 14 mg/mL and DMSO.
Melt Point(°C)	218° C
Molecular Weight	386.400 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Exact Mass	386.17 Da
Monoisotopic Mass	386.17 Da
Topological Polar Surface Area	152.000 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	508.000
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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