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MRS2693 (ammonium)

CAT: 0804-HY-117356ASize: 1 EachDry Ice: NoHazardous: No
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Description
MRS2693 ammonium is the ammonium dalt form of MRS2693. MRS2693 ammonium is a selective agonist for P2Y6 with an EC50 of 0.015 μM. MRS2693 ammonium protects C2C12 skeletal muscle cells from TNFα-induced apoptosis. MRS2693 ammonium reduces the activation of NF-kB, activates the ERK1/2 pathway, and has a cytoprotective effect on mouse ischemia-reperfusion injury model[1][2].
CAS Number
911391-37-2
UNSPSC
12352005
Target
Apoptosis; ERK; NF-κB; P2Y Receptor
Type
Reference compound
Related Pathways
Apoptosis; GPCR/G Protein; MAPK/ERK Pathway; NF-κB; Stem Cell/Wnt
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/mrs2693-ammonium.html
Smiles
O[C@H]1[C@@H](O)[C@H](N2C(NC(C(I)=C2)=O)=O)O[C@@H]1COP(O)(OP(O)(O)=O)=O.N.N.N
Molecular Formula
C9H22IN5O12P2
Molecular Weight
581.15
References & Citations
[1]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. |[2]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.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
P2Y6 Receptor

Chemical Information

CID 49797716
CAS Number911391-37-2
PubChem CID49797716
IUPAC Nameazane;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate
Molecular FormulaC9H22IN5O12P2
Molecular Weight581.15
Topological Polar Surface Area215
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity723
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.N.N.N
InChI
InChI=1S/C9H13IN2O12P2.3H3N/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);3*1H3/t4-,5-,6-,8-;;;/m1.../s1
InChIKey
RQIUJDZZLKFQQE-FCIXCQMASA-N
Chemical Structure
2D Structure
2D structure of CID 49797716
CAS: 911391-37-2
CID: 49797716
Formula: C9H22IN5O12P2
MW: 581.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight581.15
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Exact Mass580.97849
Monoisotopic Mass580.97849
Topological Polar Surface Area215 Ų
Heavy Atom Count29
Formal Charge0
Complexity723
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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