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ATP-γ-S tetrasodium

CAT: 0931-T83827Size: 2600 μgDry Ice: NoHazardous: No
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CAT#:0931-T83827Size:2600 μg
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CAS Number
88453-52-5
Target
P2Y Receptor, PERK
Related Pathways
Neuroscience, Apoptosis, GPCR/G Protein
Bioactivity
ATP-γ-S tetrasodium (Adenosine-5'-O- (3-thiotriphosphate) tetrasodium) is a purinergic P2Y11 receptor agonist and ATP analog that induces inositol phosphate accumulation, induces insulin secretion from MIN6 pancreatic islet β-cells, and induces an increase in intracellular calcium concentration. ATP-γ-S tetrasodium inhibits the induction of the Junin virus. Junin virus-induced increase in the level of mRNA encoding bone morphogenetic protein 6 (BMP6) reduces particle-forming units (PFUs) in Junin virus-infected primary rat osteoblasts.
Smiles
O[C@H]1[C@@H](O[C@@H]([C@H]1O)COP(OP(OP([O-])([S-])=O)([O-])=O)([O-])=O)N2C3=NC=NC(N)=C3N=C2.[Na+].[Na+].[Na+].[Na+]
Molecular Formula
C10H12N5Na4O12P3S
Molecular Weight
611.17
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Adenosine-5'-O-(3-thiotriphosphate) (sodium salt)
CAS Number88453-52-5
PubChem CID170917373
IUPAC Nametetrasodium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] dioxidophosphinothioyl phosphate
Molecular FormulaC10H12N5Na4O12P3S
Molecular Weight611.18
Topological Polar Surface Area305
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count17
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity788
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=S)([O-])[O-])O)O)N.[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C10H16N5O12P3S.4Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31;;;;/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31);;;;/q;4*+1/p-4/t4-,6-,7-,10-;;;;/m1..../s1
InChIKey
PBVFEDMHGRBQSV-KWIZKVQNSA-J
Chemical Structure
2D Structure
2D structure of Adenosine-5'-O-(3-thiotriphosphate) (sodium salt)
CAS: 88453-52-5
CID: 170917373
Formula: C10H12N5Na4O12P3S
MW: 611.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight611.18
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count17
Rotatable Bond Count8
Exact Mass610.90068013
Monoisotopic Mass610.90068013
Topological Polar Surface Area305 Ų
Heavy Atom Count35
Formal Charge0
Complexity788
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