Products for Research Use Only

α-Glucosidase-IN-10

CAT: 0013-GTR19185574-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185574-01Size:25 mg
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Description
α-Glucosidase-IN-10 is a potent small molecule inhibitor of α-glucosidase with an IC50 of 92.7 μM. This compound is a valuable research tool for investigating type II diabetes, suitable for in vitro enzymatic assays and studies targeting postprandial hyperglycemia.
CAS Number
2586282-68-8
Field of Research
Metabolism Research
Smiles
C (#N) C=1C (=C (C#N) C (N) =NC1SC2=CC=CC=C2) C3=CC (OC) =C (Br) C (OC) =C3
Molecular Formula
C21H15BrN4O2S
Molecular Weight
467.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Amino-4-(4-bromo-3,5-dimethoxyphenyl)-6-phenylsulfanylpyridine-3,5-dicarbonitrile
CAS Number2586282-68-8
PubChem CID164517174
IUPAC Name2-amino-4-(4-bromo-3,5-dimethoxyphenyl)-6-phenylsulfanylpyridine-3,5-dicarbonitrile
Molecular FormulaC21H15BrN4O2S
Molecular Weight467.3
XLogP5.2
Topological Polar Surface Area130
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity629
SMILES
COC1=CC(=CC(=C1Br)OC)C2=C(C(=NC(=C2C#N)SC3=CC=CC=C3)N)C#N
InChI
InChI=1S/C21H15BrN4O2S/c1-27-16-8-12(9-17(28-2)19(16)22)18-14(10-23)20(25)26-21(15(18)11-24)29-13-6-4-3-5-7-13/h3-9H,1-2H3,(H2,25,26)
InChIKey
CXSBBZIXBXGGHS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Amino-4-(4-bromo-3,5-dimethoxyphenyl)-6-phenylsulfanylpyridine-3,5-dicarbonitrile
CAS: 2586282-68-8
CID: 164517174
Formula: C21H15BrN4O2S
MW: 467.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight467.3
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass466.00991
Monoisotopic Mass466.00991
Topological Polar Surface Area130 Ų
Heavy Atom Count29
Formal Charge0
Complexity629
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