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MRS 2219

CAT: 0804-HY-102063Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-102063Size:1 Each
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Description
MRS 2219 (Pyridoxol) is a selective pharmacological probe of P2X1 receptor. MRS 2219 selectively potentiated ATP-evoked responses at P2X1 receptors with an EC50 of 5.9 μM[1].
CAS Number
14141-47-0
Product Name Alternative
Pyridoxol, cyclic 3,4- (hydrogen phosphate)
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
P2X Receptor
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/mrs-2219.html
Smiles
O=P1(OCC2=CN=C(C)C(O)=C2CO1)O
Molecular Formula
C8H10NO5P
Molecular Weight
231.14
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Jacobson KA, et al. A pyridoxine cyclic phosphate and its 6-azoaryl derivative selectively potentiate and antagonize activation of P2X1 receptors. J Med Chem. 1998 Jun 18;41 (13) :2201-6.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Mrs 2219

P2X1 receptor agonist; structure in first source

CAS Number14141-47-0
PubChem CID3960826
IUPAC Name3-hydroxy-8-methyl-3-oxo-1,5-dihydro-[1,3,2]dioxaphosphepino[5,6-c]pyridin-9-ol
Molecular FormulaC8H10NO5P
Molecular Weight231.14
XLogP-1
Topological Polar Surface Area88.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity286
SMILES
CC1=NC=C2COP(=O)(OCC2=C1O)O
InChI
InChI=1S/C8H10NO5P/c1-5-8(10)7-4-14-15(11,12)13-3-6(7)2-9-5/h2,10H,3-4H2,1H3,(H,11,12)
InChIKey
KCAJHODRYGNBSX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mrs 2219
CAS: 14141-47-0
CID: 3960826
Formula: C8H10NO5P
MW: 231.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight231.14
XLogP3-1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass231.02965942
Monoisotopic Mass231.02965942
Topological Polar Surface Area88.9 Ų
Heavy Atom Count15
Formal Charge0
Complexity286
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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