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Aldose reductase-IN-4

CAT: 0013-GTR19187867-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187867-01Size:25 mg
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Description
Aldose reductase-IN-4 (compound IIc) is a dual inhibitor of ALR1 and ALR2, exhibiting IC50 values of 11.70 μM and 0.98 μM, respectively. This small molecule is a research tool for studying the polyol pathway in diabetic complications, applicable in both in vitro enzymatic assays and cellular models.
CAS Number
2446136-17-8
Field of Research
Metabolism Research
Smiles
S (=O) (=O) (N1C=2C (C=C1) =CC=CC2) C3=CC (F) =C (O) C=C3
Molecular Formula
C14H10FNO3S
Molecular Weight
291.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Aldose reductase-IN-4
CAS Number2446136-17-8
PubChem CID162665395
IUPAC Name2-fluoro-4-indol-1-ylsulfonylphenol
Molecular FormulaC14H10FNO3S
Molecular Weight291.30
XLogP3
Topological Polar Surface Area67.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity450
SMILES
C1=CC=C2C(=C1)C=CN2S(=O)(=O)C3=CC(=C(C=C3)O)F
InChI
InChI=1S/C14H10FNO3S/c15-12-9-11(5-6-14(12)17)20(18,19)16-8-7-10-3-1-2-4-13(10)16/h1-9,17H
InChIKey
RNGRVWMFCJQROU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aldose reductase-IN-4
CAS: 2446136-17-8
CID: 162665395
Formula: C14H10FNO3S
MW: 291.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight291.30
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass291.03654252
Monoisotopic Mass291.03654252
Topological Polar Surface Area67.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity450
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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