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ATPαS

CAT: 0013-GTR19207366Size: 25 µLDry Ice: NoHazardous: No
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CAT#:0013-GTR19207366Size:25 µL
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Description
ATPαS
CAS Number
29220-54-0
Product Name Alternative
Adenosine-5'- (α-thio) -triphosphate, Sodium salt; (Mixture of Rp and Sp isomers)
Concentration
100 mM-110 mM
Purity
≥ 95% (HPLC)
Form
Solution in water; Color: colorless to slightly yellow; pH: 7.5 ± 0.5
Smiles
Nc1c2c (n ([C@H]3[C@@H] ([C@@H] ([C@H] (O3) COP (=S) (O) OP (=O) (O) OP (=O) (O) O) O) O) cn2) ncn1
Molecular Formula
C10H16N5O12P3S
Molecular Weight
Theoretical MW: 523.24 g/mol (free acid) ; Detected MW: 522.97 g/mol (free acid)
Storage Conditions
Store at -20 °C. Short term exposure (up to 1 week cumulative) to ambient temperature possible
Notes
For research use only.
Applications Notes
Crystal structure in complex with adenylyl cyclase; Activation of beta-cell adenylyl cyclase; Potent agonist for P2Y11-receptor; Full agonist for rP2Y1-receptor. Spectroscopic Propertie: λmax 259 nm, ε 15.4 L mmol-1 cm-1 (Tris-HCl, pH 7.5) . Specific Ligands: Binding to P2Y2-and P2Y6-receptors, Ligand for purinergic receptors: P2Y, P2Y2, P2Y11.

Chemical Information

Adenosine-5'-RP-alpha-thio-triphosphate
CAS Number29220-54-0
PubChem CID6858181
IUPAC Name[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate
Molecular FormulaC10H16N5O12P3S
Molecular Weight523.25
XLogP-4
Topological Polar Surface Area294
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count17
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity805
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=S)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
InChI
InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-30(23,31)27-29(21,22)26-28(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,31)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-,30?/m1/s1
InChIKey
ROYJKVPBJVNHCQ-VWJVIAGJSA-N
Chemical Structure
2D Structure
2D structure of Adenosine-5'-RP-alpha-thio-triphosphate
CAS: 29220-54-0
CID: 6858181
Formula: C10H16N5O12P3S
MW: 523.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight523.25
XLogP3-4
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count17
Rotatable Bond Count8
Exact Mass522.97290313
Monoisotopic Mass522.97290313
Topological Polar Surface Area294 Ų
Heavy Atom Count31
Formal Charge0
Complexity805
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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NU-408LATPαS
NU-406-50ATPγS
BLG-A060-25ATP-γ-S
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