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BzATP (triethylammonium)

CAT: 0804-HY-18745-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-18745-01Size:1 mg
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Description
BzATP triethylammonium acts as a P2X receptor agonist with pEC50s of 8.74, 5.26, 7.10, 7.50, 6.19, 6.31, 5.33 for P2X1, P2X2, P2X3, P2X2/3, P2X4 and P2X7, respectively[1]. BzATP triethylammonium is potent at P2X7 receptors with EC50s of 3.6 μM and 285 μM for rat P2X7 and mouse P2X7, respectively[2].
CAS Number
112898-15-4
Product Name Alternative
Benzoylbenzoyl-ATP (triethylammonium)
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
P2X Receptor
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Field of Research
Cancer; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/3-bzatp-triethylammonium.html
Purity
95.0
Solubility
10 mM in DMSO
Smiles
NC1=C2C(N([C@@H]3O[C@H](COP(OP(OP(O)(O)=O)(O)=O)(O)=O)[C@@H](OC(C4=CC=C(C=C4)C(C5=CC=CC=C5)=O)=O)[C@H]3O)C=N2)=NC=N1.CCN(CC)CC
Molecular Formula
C30H39N6O15P3
Molecular Weight
816.58
Precautions
P261-P280-P302+P352
References & Citations
[1]B R Bianchi, et al. Pharmacological characterization of recombinant human and rat P2X receptor subtypes. Eur J Pharmacol. 1999 Jul 2;376 (1-2) :127-38.|[2]Mark T Young, et al. Amino acid residues in the P2X7 receptor that mediate differential sensitivity to ATP and BzATP. Mol Pharmacol. 2007 Jan;71 (1) :92-100.|[3]Zhenhua Ji, et al. Involvement of P2X 7 Receptor in Proliferation and Migration of Human Glioma Cells. Biomed Res Int. 2018 Jan 9;2018:8591397.|[4]Xiuwen Wu, et al. Systemic blockade of P2X7 receptor protects against sepsis-induced intestinal barrier disruption. Sci Rep. 2017 Jun 29;7 (1) :4364.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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

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Alternative Products

CatalogName
sc-203862BzATP triethylammonium salt
217234BzATP Triethylammonium Salt (2’ (3’) -O- (4-Benzoylbenzoyl) adenosine-­5’-triphosphate tri (triethylammonium) Salt, P2X7 Purinergic Receptor Agonist, BZATP, 2 ,3 -O- (4-benzoylbenzoyl) ATP, P2X Purinergic Receptor Agonist, BZATP)
MBS808122-01BzATP
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