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MRS 1754

CAT: 0013-GTR19175534-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19175534-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MRS 1754 is a potent and selective A2B adenosine receptor antagonist radioligand, exhibiting minimal affinity for human and rat A1 and A3 receptor subtypes. It is a valuable tool for investigating A2B receptor function in both in vitro binding assays and in vivo models of inflammation, diabetes, and cancer.
CAS Number
264622-58-4
Product Name Alternative
P1 receptor, A2B, A2B Adenosine Receptor, Adenosine Receptor, AdenosineReceptor, inhibit, MRS 1754, MRS1754, MRS-1754, Inhibitor
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
96.12% (May vary between batches)
Solubility
DMSO:< 1 mg/mL (insoluble or slightly soluble)
Smiles
CCCn1c2[nH]c (nc2c (=O) n (CCC) c1=O) -c1ccc (OCC (=O) Nc2ccc (cc2) C#N) cc1
Molecular Formula
C26H26N6O4
Molecular Weight
486.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mrs-1754

N-(4-cyanophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide is an oxopurine.

CAS Number264622-58-4
PubChem CID6603931
IUPAC NameN-(4-cyanophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide
Molecular FormulaC26H26N6O4
Molecular Weight486.5
XLogP4.9
Topological Polar Surface Area131
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity843
SMILES
CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)NC4=CC=C(C=C4)C#N
InChI
InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)
InChIKey
AJBBEYXFRYFVNM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mrs-1754
CAS: 264622-58-4
CID: 6603931
Formula: C26H26N6O4
MW: 486.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight486.5
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass486.20155333
Monoisotopic Mass486.20155333
Topological Polar Surface Area131 Ų
Heavy Atom Count36
Formal Charge0
Complexity843
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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