U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H24N5O15P3
Molecular Weight 715.3931
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3'-O-(4-BENZOYL)BENZOYLADENOSINE 5'-TRIPHOSPHATE

SMILES

NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](OC(=O)C4=CC=C(C=C4)C(=O)C5=CC=CC=C5)[C@H]3O)C2=NC=N1

InChI

InChIKey=AWJJLYZBWRIBCZ-UGTJMOTHSA-N
InChI=1S/C24H24N5O15P3/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/h1-9,11-12,16,19-20,23,31H,10H2,(H,36,37)(H,38,39)(H2,25,26,27)(H2,33,34,35)/t16-,19-,20-,23-/m1/s1

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Regulation of phospholipase D by P2X7 receptors in submandibular ductal cells.
2003 Oct
Purinergic P2X7 receptors mediate cell death in mouse cerebellar astrocytes in culture.
2013 Dec
P2X7 receptors at adult neural progenitor cells of the mouse subventricular zone.
2013 Oct
The azetidine derivative, KHG26792 protects against ATP-induced activation of NFAT and MAPK pathways through P2X7 receptor in microglia.
2015 Dec
Patents
Name Type Language
3'-O-(4-BENZOYL)BENZOYLADENOSINE 5'-TRIPHOSPHATE
Common Name English
ADENOSINE 5'-(TETRAHYDROGEN TRIPHOSPHATE), 3'-(4-BENZOYLBENZOATE)
Systematic Name English
3'-O-(4-BENZOYL)BENZOYL ATP
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID00100222
Created by admin on Fri Dec 15 18:11:06 GMT 2023 , Edited by admin on Fri Dec 15 18:11:06 GMT 2023
PRIMARY
FDA UNII
4P5DXU1F8Q
Created by admin on Fri Dec 15 18:11:06 GMT 2023 , Edited by admin on Fri Dec 15 18:11:06 GMT 2023
PRIMARY
CAS
81790-82-1
Created by admin on Fri Dec 15 18:11:06 GMT 2023 , Edited by admin on Fri Dec 15 18:11:06 GMT 2023
PRIMARY
PUBCHEM
115205
Created by admin on Fri Dec 15 18:11:06 GMT 2023 , Edited by admin on Fri Dec 15 18:11:06 GMT 2023
PRIMARY
MESH
C033901
Created by admin on Fri Dec 15 18:11:06 GMT 2023 , Edited by admin on Fri Dec 15 18:11:06 GMT 2023
PRIMARY