CAS Number72702-95-5
SynonymsPonalrestatum; PONALRESTAT; [3-(4-Bromo-2-fluorobenzyl)-4-oxo-3,4-dihydro-1-phthalazinyl]acetic acid; 2-(2-Fluoro-4-bromobenzyl)-1,2-dihydro-1-oxophthalazin-4-ylacetic Acid; 3-[(4-Bromo-2-fluorophenyl)methyl]-3,4-dihydro-4-oxo-1-phthalazineacetic Acid; 3-(4-bromo-2-fluorobenzyl)-4-oxo-3h-phthalazin-1-ylacetic acid; statil; [3-(4-Bromo-2-fluorobenzyl)-4-oxo-3,4-dihydrophthalazin-1-yl]acetic acid; Prodiax
Molecular FormulaC17H12BrFN2O3
Molecular Weight391.19
Density1.6±0.1 g/cm3
Boiling Point576.3±60.0 °C at 760 mmHg
Melting Point184-186ºC (DEC.)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 72702-95-5 |
| Catalog No. | 2A-1191761 |
| Chinese Name | 波来瑞斯 |
| Synonyms | Ponalrestatum; PONALRESTAT; [3-(4-Bromo-2-fluorobenzyl)-4-oxo-3,4-dihydro-1-phthalazinyl]acetic acid; 2-(2-Fluoro-4-bromobenzyl)-1,2-dihydro-1-oxophthalazin-4-ylacetic Acid; 3-[(4-Bromo-2-fluorophenyl)methyl]-3,4-dihydro-4-oxo-1-phthalazineacetic Acid; 3-(4-bromo-2-fluorobenzyl)-4-oxo-3h-phthalazin-1-ylacetic acid; statil; [3-(4-Bromo-2-fluorobenzyl)-4-oxo-3,4-dihydrophthalazin-1-yl]acetic acid; Prodiax |
| Molecular Formula | C17H12BrFN2O3 |
| Molecular Weight | 391.19 |
| Density | 1.6±0.1 g/cm3 |
| Boiling Point | 576.3±60.0 °C at 760 mmHg |
| Melting Point | 184-186ºC (DEC.) |
| Storage Condition | -20°C |
| Application | Statil (Ponalrestat) is an orally active, selective and noncompetitive inhibitor of aldose reductase (ALR1B1; ALR). Statil selectively inhibits ALR2 with a Ki of 7.7 nM and ALR1 with a Ki of 60 μM. St |
| HTC | 2933990090 |
| PubChem ID | 5616278 |
| MDL Number | MFCD00204117 |
| SMILES | O=C(O)Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2ccccc12 |
| 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) |
| InChI Key | LKBFFDOJUKLQNY-UHFFFAOYSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352200 |
| Use of | Statil (Ponalrestat) is an orally active, selective and noncompetitive aldose reductase (AKR1B1; ALR) inhibitor. Statil selectively inhibits ALR2 (Ki=7.7 nM) over ALR1 (Ki=60 μM). Statil inhibits the conversion of glucose to sorbitol[1][2][3]. Properties Name 2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-oxophthalazin-1-yl]acetic acid Synonym More Synonyms Statil Biological Activity Description Statil (Ponalrestat) is an orally active, selective and noncompetitive aldose reductase (AKR1B1; ALR) inhibitor. Statil selectively inhibits ALR2 (Ki=7.7 nM) over ALR1 (Ki=60 μM). Statil inhibits the conversion of glucose to sorbitol[1][2][3]. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Aldose Reductase Research Areas >> Metabolic Disease Ki: 7.7 nM (ALR2) and 60 μM (ALR1)[1] In Vitro Statil (Ponalrestat; 1, 10, 100 μM; 6 hours) reduces PGF2αproduction in response to IL-1 in both cultured endometrial cells and endometrial explants[2]. References [1]. Ward WH, et al. Ponalrestat: a potent and specific inhibitor of aldose reductase. Biochem Pharmacol. 1990 Jan 15;39(2):337-46. [2]. Bresson E, et al. The human aldose reductase AKR1B1 qualifies as the primary prostaglandin F synthase in the endometrium. J Clin Endocrinol Metab. 2011 Jan;96(1):210-9. [3]. Calcutt NA, et al. Prevention of sensory disorders in diabetic Sprague-Dawley rats by aldose reductase inhibition or treatment with ciliary neurotrophic factor. Diabetologia. 2004 Apr;47(4):718-24. Chemical & Physical Properties Molecular Formula C17H12BrFN2O3 Exact Mass 390.001526 PSA 72.19000 Index of Refraction 1.663 InChIKey LKBFFDOJUKLQNY-UHFFFAOYSA-N Safety Information HS Code 2933990090 Synthetic Route Total: 1 Page 4-Bromo-1-(brom... CAS#:76283-09-5 1-Phthalazineac... CAS#:25947-13-1 CAS#:72702-95-5 Literature: Sriram, Dharmarajan; Yogeeswari, Perumal; Senthilkumar, Palaniappan; Sangaraju, Dewakar; Nelli, Rohit; Banerjee, Debjani; Bhat, Pritesh; Manjashetty, Thimmappa H. Chemical Biology and Drug Design, 2010 , vol. 75, # 4 p. 381 - 391 Precursor & DownStream Precursor 2 CAS#:76283-09-5 4-Bromo-1-(brom... CAS#:25947-13-1 1-Phthalazineac... DownStream 0 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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