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zopolrestat , CAS No.110703-94-1, Inhibitor of aldo-keto reductase family 1 member B
Basic Description Synonyms DTXSID80149365 | ZST | Q27089300 | SMR002529706 | 1-Phthalazineacetic acid, 3,4-dihydro-4-oxo-3-[[5-(trifluoromethyl)-2-benzothiazolyl]methyl]- | 1-Phthalazineaceticacid, 3,4-dihydro-4-oxo-3-[[5-(trifluoromethyl)-2-benzothiazolyl]methyl]- | 3,4-dihydro-4- Specifications & Purity Moligand™ Grade Moligand™ Action Type INHIBITOR Mechanism of action Inhibitor of aldo-keto reductase family 1 member B
Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Names and Identifiers IUPAC Name 2-[4-oxo-3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]phthalazin-1-yl]acetic acid INCHI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27) InChi Key BCSVCWVQNOXFGL-UHFFFAOYSA-N Canonical SMILES C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NC4=C(S3)C=CC(=C4)C(F)(F)F)CC(=O)O Isomeric SMILES C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NC4=C(S3)C=CC(=C4)C(F)(F)F)CC(=O)O WGK Germany 3 PubChem CID 1613 Molecular Weight 419.38
Safety and Hazards(GHS) Pictogram(s) GHS06 Signal Danger Hazard Statements H301: Toxic if swallowed
H413: May cause long lasting harmful effects to aquatic life
Precautionary Statements P273: Avoid release to the environment.
P321: Specific treatment (see ... on this label).
P405: Store locked up.
P501: Dispose of contents/container to ...
P264: Wash hands [and …] thoroughly after handling.
P270: Do not eat, drink or smoke when using this product.
P330: Rinse mouth.
P301+P316: IF SWALLOWED: Get emergency medical help immediately.
WGK Germany 3 RIDADR UN28116.1/PGIII
References 1. Srivastava SK, Ramana KV, Bhatnagar A. (2005) Role of aldose reductase and oxidative damage in diabetes and the consequent potential for therapeutic options.. Endocr Rev, 26 (3): (380-92). [PMID:15814847 ] [10.1021/op500134e ]
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