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α-Glucosidase-IN-10

CAT: 0804-HY-147965Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-147965Size:1 Each
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Description
α-Glucosidase-IN-10 (compound 13) is a potent α-glucosidase inhibitor, with an IC50 of 92.7 μM. α-Glucosidase-IN-10 can be used for type II diabetes research[1].
CAS Number
2586282-68-8
UNSPSC
12352005
Target
Glycosidase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/α-glucosidase-in-10.html
Solubility
10 mM in DMSO
Smiles
N#CC1=C(C2=CC(OC)=C(Br)C(OC)=C2)C(C#N)=C(SC3=CC=CC=C3)N=C1N
Molecular Formula
C21H15BrN4O2S
Molecular Weight
467.34
References & Citations
[1]Ali M, et al. Synthesis, in vitro and in silico screening of 2-amino-4-aryl-6- (phenylthio) pyridine-3,5-dicarbonitriles as novel α-glucosidase inhibitors. Bioorg Chem. 2020 Jul;100:103879.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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...
View on PubChemRaw 3D data
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

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Alternative Products

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T62994-01α-Glucosidase-IN-10
GTR19262145-01α-Amylase/α-Glucosidase-IN-10
MBS5805670alpha-Glucosidase-IN-10
sc-393782β-glucosidase 2 (D-10)
sc-393782 FITCβ-glucosidase 2 (D-10) FITC
sc-393782 PEβ-glucosidase 2 (D-10) PE
sc-393782 HRPβ-glucosidase 2 (D-10) HRP
sc-393782 ACβ-glucosidase 2 (D-10) AC
sc-393782 AF790β-glucosidase 2 (D-10) Alexa Fluor® 790
sc-393782 AF680β-glucosidase 2 (D-10) Alexa Fluor® 680

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