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AL-4114

CAT: 0804-HY-116600Size: 1 EachDry Ice: NoHazardous: No
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Description
AL-4114 is an aldose reductase inhibitor which can be utilized in research related to the prevention of diabetic cataractogenesis[1].
CAS Number
139911-05-0
UNSPSC
12352005
Target
Aldose Reductase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/al-4114.html
Smiles
O=C1NC(C2(C3=C(C4=C2C=C(F)C=C4OC)C(OC)=CC(F)=C3)N1)=O
Molecular Formula
C17H12F2N2O4
Molecular Weight
346.28
References & Citations
[1]Sastry SG, et al. Minimal effects of two aldose reductase inhibitors, AL-1576 and AL-4114, after subacute topical-ocular dosing on xenobiotic biotransformation in rabbits. Drug Metab Dispos. 1995 Oct;23 (10) :1094-8.|[2]Sastry SG, et al. Minimal effects of two aldose reductase inhibitors, AL-1576 and AL-4114, after subacute topical-ocular dosing on xenobiotic biotransformation in rabbits. Drug Metab Dispos. 1995 Oct;23 (10) :1094-8.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

AL 4114

structure given in first source

CAS Number139911-05-0
PubChem CID164424
IUPAC Name2,7-difluoro-4,5-dimethoxyspiro[fluorene-9,5'-imidazolidine]-2',4'-dione
Molecular FormulaC17H12F2N2O4
Molecular Weight346.28
XLogP2
Topological Polar Surface Area76.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity557
SMILES
COC1=CC(=CC2=C1C3=C(C24C(=O)NC(=O)N4)C=C(C=C3OC)F)F
InChI
InChI=1S/C17H12F2N2O4/c1-24-11-5-7(18)3-9-13(11)14-10(4-8(19)6-12(14)25-2)17(9)15(22)20-16(23)21-17/h3-6H,1-2H3,(H2,20,21,22,23)
InChIKey
OVRBKKLFIRJPKY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AL 4114
CAS: 139911-05-0
CID: 164424
Formula: C17H12F2N2O4
MW: 346.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight346.28
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass346.07651319
Monoisotopic Mass346.07651319
Topological Polar Surface Area76.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity557
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

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