2-((3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl)thio)benzoic acid

Base Information

• Chemical Name: 2-((3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl)thio)benzoic acid
• CAS No.: 325850-81-5
• Molecular Formula: C22H17NO4S
• Molecular Weight: 391.43968
• Hs Code.: 2933990090
• European Community (EC) Number: 803-533-4
• UNII: M3L07R4ZEP
• DSSTox Substance ID: DTXSID801148508
• Nikkaji Number: J3.167.969I
• Wikidata: Q27283446
• ChEMBL ID: CHEMBL3322500
• Mol file: 325850-81-5.mol

Synonyms:325850-81-5;GRI-977143;GRI 977143;2-((3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl)thio)benzoic acid;UNII-M3L07R4ZEP;2-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propylsulfanyl]benzoic acid;M3L07R4ZEP;CHEMBL3322500;2-[3-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-propylsulfanyl]-benzoic acid;2-((3-(1,3-Dioxo-1H-benz(de)isoquinolin-2(3H)-yl)propyl)thio)benzoic acid;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-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]sulfanyl}benzoic acid;2-{[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]thio}benzoic acid;SCHEMBL15490694;CHEBI:139224;GMVZUCHUOYUMLL-UHFFFAOYSA-N;DTXSID801148508;BDBM50056345;CCG-21963;MFCD01115892;STK806571;AKOS000522976;2-((3-(1,3-Dioxo-(1H)benzo[de]isoquinolin-2(3H)-yl)propyl)thio)benzoic Acid;AS-16536;HY-100676;CS-0019915;A899604;SR-01000505193;SR-01000505193-1;Q27283446;F0223-0003;2-((3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl)thio)benzoicacid

Chemical Property of 2-((3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl)thio)benzoic acid

Chemical Property:

• PSA: 101.67000
• LogP: 3.83330
• Storage Temp.: 2-8°C
• Solubility.: DMSO: soluble10mg/mL, clear
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 391.08782920
• Heavy Atom Count: 28
• Complexity: 594

Purity/Quality:

97% ^*data from raw suppliers

GRI 977143 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,N
• Statements: 22-43-50/53
• Safety Statements: 36/37-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)SCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O
• Description: GRI-977143 is an agonist of G protein-coupled lysophosphatidic acid receptor 2 (LPA2) with an EC50 value of 3.3 μM in LPA2-transfected RH7777 cells. It is selective for LPA2, having no activity at LPA1, LPA3, LPA4, and LPA5 at concentrations up to 10 μM. GRI-977143 increases growth and reduces caspase-3 and -7 activation in LPA2-transduced MEF fibroblasts. It increases MM1 rat hepatoma cell invasion and inhibits apoptosis of IEC-6 cells induced by TNF-α, doxorubicin , or serum withdrawal. GRI-977143 also rescues apoptotic cells from γ-irradiation-induced injury in vitro and in vivo.
• Uses: 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. 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 disease or atherosclerosis.

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