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2-Thio-UTP tetrasodium

CAT: 0013-GTR19232580-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232580-01Size:10 mg
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Description
2-Thio-UTP tetrasodium is a potent and selective agonist for P2Y2, P2Y4, and P2Y6 purinergic receptors. It is widely used in cancer research to study nucleotide signaling pathways in both in vitro cell-based assays and in vivo models of tumor biology and inflammation.
CAS Number
1343364-70-4
Field of Research
Metabolism 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 (=S) NC (=O) C=C2.[Na]
Molecular Formula
C9H11N2Na4O14P3S
Molecular Weight
588.13
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Thioutp tetrasodium salt
CAS Number1343364-70-4
PubChem CID54591573
IUPAC Nametetrasodium;[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
Molecular FormulaC9H11N2Na4O14P3S
Molecular Weight588.14
Topological Polar Surface Area285
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count15
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity816
SMILES
C1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O.[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C9H15N2O14P3S.4Na/c12-5-1-2-11(9(29)10-5)8-7(14)6(13)4(23-8)3-22-27(18,19)25-28(20,21)24-26(15,16)17;;;;/h1-2,4,6-8,13-14H,3H2,(H,18,19)(H,20,21)(H,10,12,29)(H2,15,16,17);;;;/q;4*+1/p-4/t4-,6-,7-,8-;;;;/m1..../s1
InChIKey
QCBCNKBBEOQRRB-ODQFIEKDSA-J
Chemical Structure
2D Structure
2D structure of 2-Thioutp tetrasodium salt
CAS: 1343364-70-4
CID: 54591573
Formula: C9H11N2Na4O14P3S
MW: 588.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight588.14
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count15
Rotatable Bond Count7
Exact Mass587.87346232
Monoisotopic Mass587.87346232
Topological Polar Surface Area285 Ų
Heavy Atom Count33
Formal Charge0
Complexity816
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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