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BzATP

CAT: 0013-GTR19206864-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206864-02Size:25 mg
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Description
Prototypic P2X7 receptor agonist
CAS Number
112898-15-4
Product Name Alternative
2' (3') -O- (4-Benzoylbenzoyl) adenosine-5'-triphosphate tri (triethylammonium) salt
Source
Synthetic
Purity
>97.7%
Form
Off white solid
Solubility
Soluble in water.
Smiles
[C@H]3 (O[C@@H] ([C@@H] (OC (=O) C1=CC=C (C=C1) C (=O) C2=CC=CC=C2) [C@H]3O) CO[P] (O[P] (O[P] (=O) (O) O) (=O) O) (=O) O) [N]4C5=C (N=C4) C (=NC=N5) N
Molecular Formula
C24H24N5O15P3•C18H45N3
Molecular Weight
1018.97
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3'-O-(4-Benzoylbenzoyl)adenosine 5'-(tetrahydrogen triphosphate)--N,N-diethylethanamine (1/1)
CAS Number112898-15-4
PubChem CID71308559
IUPAC Name[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 4-benzoylbenzoate;N,N-diethylethanamine
Molecular FormulaC30H39N6O15P3
Molecular Weight816.6
Topological Polar Surface Area306
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count20
Rotatable Bond Count16
Heavy Atom Count54
Formal Charge0
Complexity1300
SMILES
CCN(CC)CC.C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=NC5=C(N=CN=C54)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O
InChI
InChI=1S/C24H24N5O15P3.C6H15N/c25-21-17-22(27-11-26-21)29(12-28-17)23-19(31)20(16(41-23)10-40-46(36,37)44-47(38,39)43-45(33,34)35)42-24(32)15-8-6-14(7-9-15)18(30)13-4-2-1-3-5-13;1-4-7(5-2)6-3/h1-9,11-12,16,19-20,23,31H,10H2,(H,36,37)(H,38,39)(H2,25,26,27)(H2,33,34,35);4-6H2,1-3H3/t16-,19-,20-,23-;/m1./s1
InChIKey
HVOVBTNCGADRTH-WBLDMZOZSA-N
Chemical Structure
2D Structure
2D structure of 3'-O-(4-Benzoylbenzoyl)adenosine 5'-(tetrahydrogen triphosphate)--N,N-diethylethanamine (1/1)
CAS: 112898-15-4
CID: 71308559
Formula: C30H39N6O15P3
MW: 816.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight816.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count20
Rotatable Bond Count16
Exact Mass816.16862555
Monoisotopic Mass816.16862555
Topological Polar Surface Area306 Ų
Heavy Atom Count54
Formal Charge0
Complexity1300
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS808122-01BzATP
HY-18745-01BzATP (triethylammonium)
NU-1620-25BzBzATP (BzATP)
B7358-1BzATP (ammonium salt)
sc-203862BzATP triethylammonium salt
HY-136254-01BzATP (triethylammonium salt)
JBS-NU-1620-25BzBzATP (BzATP) (25 mg)
JBS-NU-1620-5BzBzATP (BzATP) (5 mg)
443708-01BzATP Ammonium Salt (Mixture of 2'-3' isomers)

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