Apadenoson

CAT: 0804-HY-105068-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-105068-02Size:5 mg

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Description

Apadenoson is an adenosine analog with selective agonist activity for the adenosine A2a receptor and induces coronary vasodilatation[1].

CAS Number

250386-15-3

Product Name Alternative

BMS 068645; DWH 146e

UNSPSC

12352005

Target

Adenosine Receptor

Type

Reference compound

Related Pathways

GPCR/G Protein

Applications

Neuroscience-Neuromodulation

Field of Research

Cardiovascular Disease

Assay Protocol

https://www.medchemexpress.com/apadenoson.html

Purity

99.05

Solubility

DMSO : ≥ 100 mg/mL

Smiles

NC1=C2C(N([C@@H]3O[C@H](C(NCC)=O)[C@@H](O)[C@H]3O)C=N2)=NC(C#CC[C@H]4CC[C@H](C(OC)=O)CC4)=N1

Molecular Formula

C23H30N6O6

Molecular Weight

486.52

References & Citations

[1]Hong, Y., et al. Synthesis of [1,2-3H]ethylamine hydrochloride and [3H]-labeled apadenoson for a human ADME study. Journal of Labelled Compounds and Radiopharmaceuticals, 51 (2), 113-117

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

Phase 3

Chemical Information

Apadenoson

Apadenoson is a selective A2a adenosine receptor agonist designed for use as a pharmacologic stress agent in cardiac perfusion imaging studies. It is developed by Bristol-Myers Squibb and is in phase II of clinical trials.

CAS Number	250386-15-3
PubChem CID	9805430
IUPAC Name	methyl 4-[3-[6-amino-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]prop-2-ynyl]cyclohexane-1-carboxylate
Molecular Formula	C23H30N6O6
Molecular Weight	486.5
XLogP	0.8
Topological Polar Surface Area	175
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	7
Heavy Atom Count	35
Formal Charge	0
Complexity	839

SMILES

CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)C#CCC4CCC(CC4)C(=O)OC)N)O)O

InChI

InChI=1S/C23H30N6O6/c1-3-25-21(32)18-16(30)17(31)22(35-18)29-11-26-15-19(24)27-14(28-20(15)29)6-4-5-12-7-9-13(10-8-12)23(33)34-2/h11-13,16-18,22,30-31H,3,5,7-10H2,1-2H3,(H,25,32)(H2,24,27,28)/t12?,13?,16-,17+,18-,22+/m0/s1

InChIKey

FLEVIENZILQUKB-DMJMAAGCSA-N

Chemical Structure

2D Structure

CAS: 250386-15-3

CID: 9805430

Formula: C23H30N6O6

MW: 486.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	486.5
XLogP3	0.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	7
Exact Mass	486.22268270
Monoisotopic Mass	486.22268270
Topological Polar Surface Area	175 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	839
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19198236-01	Apadenoson
AKA38615-01	Apadenoson-d5
T26641L-01	Apadenoson TFA

Apadenoson

Chemical Information

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