Completing data — usually done within a minute
Basic information
- CAS
72702-95-5- Standard SMILES
O=C(O)Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2ccccc12- InChIKey
LKBFFDOJUKLQNY-UHFFFAOYSA-N- Molecular formula
- C17H12BrFN2O3
- Average molar mass
- 391.196 g/mol
- Monoisotopic mass
- 390.00153256
Names & identifiers
- Preferred name
- Ponalrestat
- IUPAC
- {3-[(4-Bromo-2-fluorophenyl)methyl]-4-oxo-3,4-dihydrophthalazin-1-yl}acetic acid
- English name
- STATIL
- Molecular formula
- C17H12BrFN2O3
- Molecular weight
- 391.19
Names & synonyms
STATILMK-538ICI-plcICI-128436PonalrestatPonalrestat (MK-538Ponalrestat - Bio-X ?Ponalrestat, 10 mM in DMSO[3-(4-BROMO-2-FLUOROBENZYL)-4-OXO-3H-PHTHALAZIN-1-YL]ACETIC ACIDPonalrestat Statil
Database identifiers
- CAS
72702-95-5- PubChem CID
- 5278
- DTXSID
DTXSID1045665- ChEMBL
CHEMBL7679- ChEBI
CHEBI:93199- UNII
- 2CV0A5G64E
- Nikkaji
- J22.229A
Properties
Physicochemical properties
- Melting point
- 184 · 184-186℃ (DEC.)
- Density
- 1.6 · 1.60
- storage temp.
- Store at RT
- solubility
- 2 mg/mL; · DMF: 2 mg/mL; DMSO: 2 mg/mL; Ethanol: 2 mg/mL; PBS (pH 7.2): 0.2 mg/mL
- form
- A crystalline solid
- color
- White to off-white
- InChI
- InChI=1S/C17H12BrFN2O3/c18-11-6-5-10(14(19)7-11)9-21-17(24)13-4-2-1-3-12(13)15(20-21)8-16(22)23/h1-7H,8-9H2,(H,22,23)
- InChIKey
- LKBFFDOJUKLQNY-UHFFFAOYSA-N
- SMILES
- C12C=CC=CC=1C(=O)N(CC1=CC=C(Br)C=C1F)N=C2CC(=O)O
- FDA UNII
- 2 CV0A5G64E · 2CV0A5G64E
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety data
- wgk
- WGK 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
DescriptionStatil is an aldose reductase inhibitor that blocks the conversion of glucose to sorbitol. It demonstrates selectivity for aldose reductase 2 over aldose reductase 1 with Ki values of 7.7 nM and 60 μM, respectively. Statil has been shown to prevent diabetes-induced alterations of the cardiovascular system in 14-day streptozotocin-diabetic rats. Aldose reductase inhibition by statil has also been used to impair the synthesis of prostaglandin F2α by human cultured preadipocytes.
UsesInhibitor (aldose reductase).
UsesStatil is a knon aldose reductase inhibitor which blocks the conversion of glucose to sorbitol. In addition it suppresses cell cancer growth
Upstream & downstream products
Upstream raw materials
Suppliers58 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
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Additional notes
DefinitionChEBI: 2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-oxo-1-phthalazinyl]acetic acid is a member of phthalazines.
Related reactions
2 records
Compound notes
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