Products for Research Use Only
RegisterLogin

Zenarestat

CAT: 0804-HY-116239-05Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-116239-05Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Zenarestat is a potent and orally active aldose reductase inhibitor. Zenarestat improves diabetic peripheral neuropathy in Zucker diabetic fatty rats[1].
CAS Number
112733-06-9
Product Name Alternative
AMD 3100; JM3100; SID791
UNSPSC
12352005
Target
Aldose Reductase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/zenarestat.html
Purity
99.35
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(CN1C(N(C(C2=C1C=C(C=C2)Cl)=O)CC3=CC=C(C=C3F)Br)=O)O
Molecular Formula
C17H11BrClFN2O4
Molecular Weight
441.64
References & Citations
[1]Shimoshige Y, et al. The effects of zenarestat, an aldose reductase inhibitor, on peripheral neuropathy in Zucker diabetic fatty rats. Metabolism. 2000;49 (11) :1395-1399.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Zenarestat
CAS Number112733-06-9
PubChem CID5724
IUPAC Name2-[3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-2,4-dioxoquinazolin-1-yl]acetic acid
Molecular FormulaC17H11BrClFN2O4
Molecular Weight441.6
XLogP3.3
Topological Polar Surface Area77.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity595
SMILES
C1=CC2=C(C=C1Cl)N(C(=O)N(C2=O)CC3=C(C=C(C=C3)Br)F)CC(=O)O
InChI
InChI=1S/C17H11BrClFN2O4/c18-10-2-1-9(13(20)5-10)7-22-16(25)12-4-3-11(19)6-14(12)21(17(22)26)8-15(23)24/h1-6H,7-8H2,(H,23,24)
InChIKey
SXONDGSPUVNZLO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Zenarestat
CAS: 112733-06-9
CID: 5724
Formula: C17H11BrClFN2O4
MW: 441.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight441.6
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass439.95748
Monoisotopic Mass439.95748
Topological Polar Surface Area77.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity595
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
BA7159-25Zenarestat

Popular Products