2-[[3-(1,3-Dioxo-1H-benz[de]isoquinolin-2(3H)-yl)propyl]thio]benzoic acid
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![2-[[3-(1,3-Dioxo-1H-benz[de]isoquinolin-2(3H)-yl)propyl]thio]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/dbfd912d75014ef09ed6b373bd6aa14d.png "2-[[3-(1,3-Dioxo-1H-benz[de]isoquinolin-2(3H)-yl)propyl]thio]benzoic acid")
2-[[3-(1,3-Dioxo-1H-benz[de]isoquinolin-2(3H)-yl)propyl]thio]benzoic acid
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CAS No:
325850-81-5
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Formula:
C22H17NO4S
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Chemical Name:
2-[[3-(1,3-Dioxo-1H-benz[de]isoquinolin-2(3H)-yl)propyl]thio]benzoic acid
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Synonyms:
Benzoic acid,2-[[3-(1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-yl)propyl]thio]-;2-[[3-(1,3-Dioxo-1H-benz[de]isoquinolin-2(3H)-yl)propyl]thio]benzoic acid;2-[3-(1,3-Dioxobenzo[de]isoquinolin-2-yl)propylsulfanyl]benzoic acid;2-[[3-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]thio]benzoic acid
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CAS No:
Description
GRI977143 is a benzoisoquinoline that is 1H-benzo[de]isoquinoline-1,3(2H)-dione in which the hydrogen attached to the nitrogen has been replaced by a 3-[(2-carboxyphenyl)thio]propyl group.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. It has a role as a G-protein-coupled receptor agonist and an apoptosis inhibitor. It is a benzoisoquinoline, an aryl sulfide and a member of benzoic acids.
2-[[3-(1,3-Dioxo-1H-benz[de]isoquinolin-2(3H)-yl)propyl]thio]benzoic acid Basic Attributes
391.44
391.44
803-533-4
M3L07R4ZEP
2933990090
2-[[3-(1,3-Dioxo-1H-benz[de]isoquinolin-2(3H)-yl)propyl]thio]benzoic acid Use and Manufacturing
2-[3-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-propylsulfanyl]-benzoic acid is used as a non-lipid agonist of LPA2. LPA (Lipoprotein Associated Phospholipase A2/A3 are important factors in prediction of diseases involving fatty acids such as coronary heart disea se or atherosclerosis.
Computed Properties
Molecular Weight:391.4
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:391.08782920
Monoisotopic Mass:391.08782920
Topological Polar Surface Area:100
Heavy Atom Count:28
Complexity:594
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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