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α-Glucosidase-IN-2

CAT: 0804-HY-115978Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-115978Size:1 Each
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Description
α-Glucosidase-IN-2 (compound 5d) is a potent α-Glucosidase inhibitor with an IC50 of 9.48 µM. α-Glucosidase-IN-2 is an antidiabetic agent[1].
CAS Number
2699784-18-2
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-2.html
Solubility
10 mM in DMSO
Smiles
O=C1NC(S/C1=C\C2=CC=CC(NC3=NC4=CC=CC=C4O3)=C2)=S
Molecular Formula
C17H11N3O2S2
Molecular Weight
353.42
References & Citations
[1]Varinder Singh, et al. Benzoxazolyl linked benzylidene based rhodanine and analogs as novel antidiabetic agents: synthesis, molecular docking, and in vitro studies. Medicinal Chemistry Research volume 30, pages1905–1914 (2021) .
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(5z)-5-[3-(1,3-Benzoxazol-2-ylamino)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
CAS Number2699784-18-2
PubChem CID156587759
IUPAC Name(5Z)-5-[[3-(1,3-benzoxazol-2-ylamino)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Molecular FormulaC17H11N3O2S2
Molecular Weight353.4
XLogP4.5
Topological Polar Surface Area125
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity554
SMILES
C1=CC=C2C(=C1)N=C(O2)NC3=CC=CC(=C3)/C=C\4/C(=O)NC(=S)S4
InChI
InChI=1S/C17H11N3O2S2/c21-15-14(24-17(23)20-15)9-10-4-3-5-11(8-10)18-16-19-12-6-1-2-7-13(12)22-16/h1-9H,(H,18,19)(H,20,21,23)/b14-9-
InChIKey
YZCUHUFKVFKRAR-ZROIWOOFSA-N
Chemical Structure
2D Structure
2D structure of (5z)-5-[3-(1,3-Benzoxazol-2-ylamino)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
CAS: 2699784-18-2
CID: 156587759
Formula: C17H11N3O2S2
MW: 353.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight353.4
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass353.02926895
Monoisotopic Mass353.02926895
Topological Polar Surface Area125 Ų
Heavy Atom Count24
Formal Charge0
Complexity554
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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