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ATP-γ-S tetrasodium

CAT: 0013-GTR19229889Size: 2600 ugDry Ice: NoHazardous: No
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CAT#:0013-GTR19229889Size:2600 ug
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Description
ATP-γ-S tetrasodium is a stable ATP analog and P2Y11 receptor agonist that stimulates insulin secretion and calcium mobilization in pancreatic β-cells. It also exhibits antiviral activity by inhibiting Junin virus replication and virus-induced BMP6 mRNA upregulation in osteoblasts, making it useful for purinergic signaling and viral pathogenesis research.
CAS Number
88453-52-5
Field of Research
Cell Biology, Neuroscience, Pharmacology & Drug Discovery
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
Storage Conditions
-20°C
Notes
For research use only.

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...
View on PubChemRaw 3D data
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

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