GRI977143
A benzoisoquinoline that is 1H-benzo[de]isoquinoline-1,3(2H)-dione in which the hydrogen attached to the nitrogen has been replaced by a 3-[(2-carboxyphenyl)thio]propyl group. It is a selective LPA2 receptor non-lipid agonist.
Also appears inslm
Exact Synonyms
2-{[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]sulfanyl}benzoic acid
Related Synonyms
2-{[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]thio}benzoic acid
GRI 977143
GRI-977143
class Information
charge
0
formula
C22H17NO4S
has_dbxref
- CAS:325850-81-5
- PMID:22968304
- PMID:23127512
- PMID:27244685
- Reaxys:26636248
has_obo_namespace
chebi_ontology
inchi
InChI=1S/C22H17NO4S/c24-20-16-9-3-6-14-7-4-10-17(19(14)16)21(25)23(20)12-5-13-28-18-11-2-1-8-15(18)22(26)27/h1-4,6-11H,5,12-13H2,(H,26,27)
inchikey
GMVZUCHUOYUMLL-UHFFFAOYSA-N
in_subset
mass
391.442
monoisotopicmass
391.08783
smiles
C(N1C(C2=C3C(C1=O)=CC=CC3=CC=C2)=O)CCSC4=C(C(O)=O)C=CC=C4