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

Details

Stereochemistry ABSOLUTE
Molecular Formula C11H18N5O12P3
Molecular Weight 505.2082
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (.ALPHA.,.BETA.-METHYLENE)ADENOSINE 5'-TRIPHOSPHATE

SMILES

NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)CP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1

InChI

InChIKey=CAWZRIXWFRFUQB-IOSLPCCCSA-N
InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
14.0 nM [IC50]
200.0 nM [IC50]
740.0 nM [IC50]
Name Type Language
(.ALPHA.,.BETA.-METHYLENE)ADENOSINE 5'-TRIPHOSPHATE
Common Name English
ADENOSINE, 5'-(TRIHYDROGEN METHYLENEDIPHOSPHONATE), MONOANHYDRIDE WITH PHOSPHORIC ACID
Systematic Name English
ADENOSINE, 5'-(HYDROGEN ((HYDROXY(PHOSPHONOOXY)PHOSPHINYL)METHYL)PHOSPHONATE)
Systematic Name English
ADENOSINE 5'-(.ALPHA.,.BETA.-METHYLENETRIPHOSPHONATE)
Systematic Name English
ADENOSINE 5'-METHYLENEDIPHOSPHONO-P2-PHOSPHATE
Systematic Name English
ALPHA,BETA-METHYLENEADENOSINE 5'-TRIPHOSPHATE
Common Name English
ATP, .ALPHA.,.BETA.-METHYLENE-
Systematic Name English
(.ALPHA.,.BETA.-METHYLENE)ADENOSINE TRIPHOSPHATE
Systematic Name English
.ALPHA.,.BETA.-METHYLENE-ATP
Systematic Name English
AMPCPP
Common Name English
.ALPHA.,.BETA.-METHYLENE 5'-ATP
Systematic Name English
ADENOSINE, 5'-METHYLENEDIPHOSPHONATE, ANHYDRIDE WITH H3PO4
Systematic Name English
ADENOSINE 5'-(.ALPHA.,.BETA.-METHYLENETRIPHOSPHATE)
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
230-723-9
Created by admin on Fri Dec 15 19:38:48 GMT 2023 , Edited by admin on Fri Dec 15 19:38:48 GMT 2023
PRIMARY
EPA CompTox
DTXSID20223219
Created by admin on Fri Dec 15 19:38:48 GMT 2023 , Edited by admin on Fri Dec 15 19:38:48 GMT 2023
PRIMARY
FDA UNII
NYX13NT29D
Created by admin on Fri Dec 15 19:38:48 GMT 2023 , Edited by admin on Fri Dec 15 19:38:48 GMT 2023
PRIMARY
PUBCHEM
91557
Created by admin on Fri Dec 15 19:38:48 GMT 2023 , Edited by admin on Fri Dec 15 19:38:48 GMT 2023
PRIMARY
DRUG BANK
DB02596
Created by admin on Fri Dec 15 19:38:48 GMT 2023 , Edited by admin on Fri Dec 15 19:38:48 GMT 2023
PRIMARY
CAS
7292-42-4
Created by admin on Fri Dec 15 19:38:48 GMT 2023 , Edited by admin on Fri Dec 15 19:38:48 GMT 2023
PRIMARY