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MRS2693 trisodium

CAT: 0013-GTR19232646Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232646Size:1 mg
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Description
MRS2693 trisodium is a potent and selective P2Y6 receptor agonist (EC50 = 15 nM) . It exhibits cytoprotective activity in a murine hindlimb ischemia-reperfusion model by inhibiting NF-κB and activating ERK1/2 signaling, supporting its research use in studying purinergic signaling in vascular and muscular injury.
CAS Number
1448858-83-0
Field of Research
Neuroscience, Pharmacology & Drug Discovery, Signal Transduction
Smiles
O[C@H]1[C@@H] (O[C@H] (COP (OP (=O) (O) O) (=O) O) [C@H]1O) N2C (=O) NC (=O) C (I) =C2.[Na]
Molecular Formula
C9H10IN2Na3O12P2
Molecular Weight
596
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

MRS 2693 trisodium salt
CAS Number1448858-83-0
PubChem CID90488768
IUPAC Nametrisodium;[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate
Molecular FormulaC9H10IN2Na3O12P2
Molecular Weight596.00
Topological Polar Surface Area221
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity704
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])[O-])O)O)I.[Na+].[Na+].[Na+]
InChI
InChI=1S/C9H13IN2O12P2.3Na/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(23-8)2-22-26(20,21)24-25(17,18)19;;;/h1,4-6,8,13-14H,2H2,(H,20,21)(H,11,15,16)(H2,17,18,19);;;/q;3*+1/p-3/t4-,5-,6-,8-;;;/m1.../s1
InChIKey
QWGVSYFNEAILDQ-FCIXCQMASA-K
Chemical Structure
2D Structure
2D structure of MRS 2693 trisodium salt
CAS: 1448858-83-0
CID: 90488768
Formula: C9H10IN2Na3O12P2
MW: 596.00
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight596.00
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Exact Mass595.84468
Monoisotopic Mass595.84468
Topological Polar Surface Area221 Ų
Heavy Atom Count29
Formal Charge0
Complexity704
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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