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MRS 1706 - ≥96%(HPLC), high purity , CAS No.264622-53-9, Antagonist of A 2B receptor

COA COA
In stock
Item Number
M286944
Grouped product items
SKU Size
Availability
 Price Qty
M286944-1mg
1mg
2
$21.90
M286944-5mg
5mg
2
$88.90
M286944-10mg
10mg
2
$147.90
M286944-25mg
25mg
2
$333.90
M286944-50mg
50mg
2
$593.90
M286944-100mg
100mg
2
$1,088.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

Potent and selective A2Binverse agonist

View related series
A2B receptor Antagonist (58) Adenosine Receptor (113) Class A GPCR (4138) GPCR/G Protein (3172)

Basic Description

Synonyms SCHEMBL1223972 | SR-01000597590 | Acetamide, N-(4-acetylphenyl)-2-(4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)phenoxy)- | A16868 | Tocris-1584 | NCGC00025221-01 | SR-01000597590-1 | N-(4-Acetyl-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-
Specifications & Purity Moligand™, ≥96%(HPLC)
Biochemical and Physiological Mechanisms Potent and selective adenosine A2Breceptor inverse agonist (Kivalues are 1.39, 157, 112 and 230 nM for human A2B, A1, A2Aand A3receptors respectively).
Storage Temp Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Grade Moligand™
Action Type ANTAGONIST
Mechanism of action Antagonist of A 2B receptor

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organic oxygen compounds
Class Organooxygen compounds
Subclass Carbonyl compounds
Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones
Direct Parent Alkyl-phenylketones
Alternative Parents Xanthines  Phenylimidazoles  6-oxopurines  Acetophenones  Alkaloids and derivatives  Anilides  Aryl alkyl ketones  Benzoyl derivatives  N-arylamides  Phenol ethers  Phenoxy compounds  Alkyl aryl ethers  Pyrimidones  Heteroaromatic compounds  Vinylogous amides  Ureas  Lactams  Secondary carboxylic acid amides  Azacyclic compounds  Hydrocarbon derivatives  Organic oxides  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Alkyl-phenylketone - 2-phenylimidazole - Xanthine - 6-oxopurine - Purinone - Imidazopyrimidine - Acetophenone - Purine - Alkaloid or derivatives - Anilide - Phenoxy compound - Benzoyl - Phenol ether - N-arylamide - Aryl alkyl ketone - Pyrimidone - Alkyl aryl ether - Pyrimidine - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Urea - Secondary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors Not available

Associated Targets(Human)

CYP2D6 Tclin Cytochrome P450 2D6 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
ADORA2B Tclin Adenosine receptor A2b (2 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
ADORA1 Tclin Adenosine A1 receptor (17603 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADORA2A Tclin Adenosine A2a receptor (16305 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADORA2B Tclin Adenosine A2b receptor (7672 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADORA3 Tchem Adenosine A3 receptor (15931 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADORA2B Tclin Adenosine receptors; A2b & A3 (335 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

lef Anthrax lethal factor (7585 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Adora2b Adenosine A2 receptor (1828 Activities)
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

Pubchem Sid 488195107
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488195107
IUPAC Name N-(4-acetylphenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide
INCHI InChI=1S/C27H29N5O5/c1-4-14-31-25-23(26(35)32(15-5-2)27(31)36)29-24(30-25)19-8-12-21(13-9-19)37-16-22(34)28-20-10-6-18(7-11-20)17(3)33/h6-13H,4-5,14-16H2,1-3H3,(H,28,34)(H,29,30)
InChIKey ZKUCFFYOQOJLGT-UHFFFAOYSA-N
Smiles CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)NC4=CC=C(C=C4)C(=O)C
Isomeric SMILES CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)NC4=CC=C(C=C4)C(=O)C
Molecular Weight 503.56
Reaxy-Rn 8596654
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8596654&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.

12 results found

Lot Number Certificate Type Date Item
B2306286 Certificate of Analysis Oct 25, 2022 M286944
B2306281 Certificate of Analysis Oct 25, 2022 M286944
B2306289 Certificate of Analysis Oct 25, 2022 M286944
B2306292 Certificate of Analysis Oct 25, 2022 M286944
B2306277 Certificate of Analysis Oct 25, 2022 M286944
B2306278 Certificate of Analysis Oct 25, 2022 M286944
B2306291 Certificate of Analysis Oct 25, 2022 M286944
B2306280 Certificate of Analysis Oct 25, 2022 M286944
B2306293 Certificate of Analysis Oct 25, 2022 M286944
B2306294 Certificate of Analysis Oct 25, 2022 M286944
B2306283 Certificate of Analysis Oct 25, 2022 M286944
B2306276 Certificate of Analysis Oct 25, 2022 M286944

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Chemical and Physical Properties

Solubility Solvent:DMSO, Max Conc. mg/mL: 2.52, Max Conc. mM: 5
Molecular Weight 503.500 g/mol
XLogP3 4.900
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 10
Exact Mass 503.217 Da
Monoisotopic Mass 503.217 Da
Topological Polar Surface Area 125.000 Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 837.000
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

Solution Calculators

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