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Ponalrestat

CAT: 0804-HY-106697-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-106697-02Size:10 mg
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Description
Ponalrestat (ICI 128436) is an orally active, selective and noncompetitive aldose reductase (AKR1B1; ALR) inhibitor. Ponalrestat selectively inhibits ALR2 (Ki=7.7 nM) over ALR1 (Ki=60 μM) . Ponalrestat inhibits the conversion of glucose to sorbitol[1][2][3].
CAS Number
72702-95-5
Product Name Alternative
ICI 128436
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Aldose Reductase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/ponalrestat.html
Concentration
10mM
Purity
99.51
Solubility
DMSO : 62.5 mg/mL (ultrasonic)
Smiles
OC(CC(C1=C2C=CC=C1)=NN(CC3=C(C=C(Br)C=C3)F)C2=O)=O
Molecular Formula
C17H12BrFN2O3
Molecular Weight
391.19
Precautions
H302, H315, H319, H335
References & Citations
[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.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
Phase 3

Chemical Information

Ponalrestat

2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-oxo-1-phthalazinyl]acetic acid is a member of phthalazines.

CAS Number72702-95-5
PubChem CID5278
IUPAC Name2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-oxophthalazin-1-yl]acetic acid
Molecular FormulaC17H12BrFN2O3
Molecular Weight391.2
XLogP3.2
Topological Polar Surface Area70
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity542
SMILES
C1=CC=C2C(=C1)C(=NN(C2=O)CC3=C(C=C(C=C3)Br)F)CC(=O)O
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
Chemical Structure
2D Structure
2D structure of Ponalrestat
CAS: 72702-95-5
CID: 5278
Formula: C17H12BrFN2O3
MW: 391.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.2
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass390.00153
Monoisotopic Mass390.00153
Topological Polar Surface Area70 Ų
Heavy Atom Count24
Formal Charge0
Complexity542
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BUP06837-01Ponalrestat
BP300109Ponalrestat - Bio-X TM

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