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Aldose reductase-IN-2

CAT: 0013-GTR19185619-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185619-01Size:25 mg
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Description
Aldose reductase-IN-2 (Compound 5f) is a potent and bifunctional aldose reductase inhibitor with antioxidant activity, making it a candidate for investigating diabetic complications. Research applications include in vitro enzyme inhibition assays and in vivo studies exploring its protective effects in diabetic neuropathy and cataract models.
CAS Number
1687735-82-5
Field of Research
Metabolism Research
Smiles
C (=C (/C (NCCCNC ([C@@H] (COCC1=CC=CC=C1) NC (C) =O) =O) =O) \C#N) \C2=CC=C (O) C=C2
Molecular Formula
C25H28N4O5
Molecular Weight
464.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Aldose reductase-IN-2
CAS Number1687735-82-5
PubChem CID129892615
IUPAC Name(E)-N-[3-[[(2R)-2-acetamido-3-phenylmethoxypropanoyl]amino]propyl]-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide
Molecular FormulaC25H28N4O5
Molecular Weight464.5
XLogP1.6
Topological Polar Surface Area141
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count34
Formal Charge0
Complexity746
SMILES
CC(=O)N[C@H](COCC1=CC=CC=C1)C(=O)NCCCNC(=O)/C(=C/C2=CC=C(C=C2)O)/C#N
InChI
InChI=1S/C25H28N4O5/c1-18(30)29-23(17-34-16-20-6-3-2-4-7-20)25(33)28-13-5-12-27-24(32)21(15-26)14-19-8-10-22(31)11-9-19/h2-4,6-11,14,23,31H,5,12-13,16-17H2,1H3,(H,27,32)(H,28,33)(H,29,30)/b21-14+/t23-/m1/s1
InChIKey
VUURKVKDPLWDOX-XOYGFPHKSA-N
Chemical Structure
2D Structure
2D structure of Aldose reductase-IN-2
CAS: 1687735-82-5
CID: 129892615
Formula: C25H28N4O5
MW: 464.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.5
XLogP31.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass464.20597001
Monoisotopic Mass464.20597001
Topological Polar Surface Area141 Ų
Heavy Atom Count34
Formal Charge0
Complexity746
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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