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4-Thiouridine 5′-triphosphate disodium

CAT: 0013-GTR19230641-01Size: 50 mgDry Ice: NoHazardous: No
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Description
4-Thiouridine 5′-triphosphate tetrasodium is a potent P2Y2 and P2Y4 receptor agonist, with EC50 values of 35 nM and 350 nM, respectively. It is widely used in biochemical research for in vitro crosslinking, transcriptional complex labeling, and studies of purinergic signaling pathways.
CAS Number
68507-49-3
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
O[C@H]1[C@@H] (O[C@H] (COP (OP (OP (=O) (O) O) (=O) O) (=O) O) [C@H]1O) N2C (=O) NC (=S) C=C2.[Na]
Molecular Formula
C9H11N2Na2O14P3S
Molecular Weight
546.19
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Thiouridine 5 inverted exclamation marka-triphosphate disodium
CAS Number68507-49-3
PubChem CID170901922
IUPAC Namedisodium;[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-oxo-4-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
Molecular FormulaC9H13N2Na2O14P3S
Molecular Weight544.17
Topological Polar Surface Area280
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity834
SMILES
C1=CN(C(=O)NC1=S)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)([O-])OP(=O)(O)[O-])O)O.[Na+].[Na+]
InChI
InChI=1S/C9H15N2O14P3S.2Na/c12-6-4(3-22-27(18,19)25-28(20,21)24-26(15,16)17)23-8(7(6)13)11-2-1-5(29)10-9(11)14;;/h1-2,4,6-8,12-13H,3H2,(H,18,19)(H,20,21)(H,10,14,29)(H2,15,16,17);;/q;2*+1/p-2/t4-,6-,7-,8-;;/m1../s1
InChIKey
ULVLGNGSMWQEOK-WFIJOQBCSA-L
Chemical Structure
2D Structure
2D structure of 4-Thiouridine 5 inverted exclamation marka-triphosphate disodium
CAS: 68507-49-3
CID: 170901922
Formula: C9H13N2Na2O14P3S
MW: 544.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight544.17
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count8
Exact Mass543.90957382
Monoisotopic Mass543.90957382
Topological Polar Surface Area280 Ų
Heavy Atom Count31
Formal Charge0
Complexity834
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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