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MRS2693 (trisodium)

CAT: 0804-HY-117356BSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-117356BSize:1 mg
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Description
MRS2693 trisodium is a selective P2Y6 agonist with an EC50 value of 0.015 μM. MRS2693 trisodium can reduce the activation of NF-kappaB and activate the ERK1/2 pathway, and has a cytoprotective effect on mouse hindlimb skeletal muscle ischemia-reperfusion injury model[1][2].
CAS Number
1448858-83-0
UNSPSC
12352005
Target
ERK; NF-κB; P2Y Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; MAPK/ERK Pathway; NF-κB; Stem Cell/Wnt
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/mrs2693-trisodium.html
Solubility
10 mM in DMSO
Smiles
O[C@H]1[C@@H](O)[C@H](N2C(NC(C(I)=C2)=O)=O)O[C@@H]1COP(OP(O[Na])(O[Na])=O)(O[Na])=O
Molecular Formula
C9H10IN2Na3O12P2
Molecular Weight
596.00
References & Citations
[1]Girard M, et al. Ligand-dependent intracellular trafficking of the G protein-coupled P2Y6 receptor. Biochim Biophys Acta Mol Cell Res. 2023 Jun;1870 (5) :119476.|[2]Mamedova LK, et al. Attenuation of apoptosis in vitro and ischemia/reperfusion injury in vivo in mouse skeletal muscle by P2Y6 receptor activation. Pharmacol Res. 2008 Sep-Oct;58 (3-4) :232-9.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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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