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α-Glucosidase-IN-21

CAT: 0013-GTR19186764-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186764-01Size:25 mg
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Description
α-Glucosidase-IN-21 (Compound 2B) is a potent, orally bioavailable α-glucosidase inhibitor with an IC50 of 2.62 μM. It serves as a valuable research tool for investigating type 2 diabetes mechanisms and potential therapies in both biochemical and cellular assay systems.
CAS Number
321686-01-5
Field of Research
Metabolism Research
Smiles
O (C) C=1C=C (C2CC (=NC=3C (S2) =CC=CC3) C4=CC=C (C) C=C4) C=CC1OC
Molecular Formula
C24H23NO2S
Molecular Weight
389.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(3,4-Dimethoxyphenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine
CAS Number321686-01-5
PubChem CID4105499
IUPAC Name2-(3,4-dimethoxyphenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine
Molecular FormulaC24H23NO2S
Molecular Weight389.5
XLogP5.4
Topological Polar Surface Area56.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity531
SMILES
CC1=CC=C(C=C1)C2=NC3=CC=CC=C3SC(C2)C4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C24H23NO2S/c1-16-8-10-17(11-9-16)20-15-24(28-23-7-5-4-6-19(23)25-20)18-12-13-21(26-2)22(14-18)27-3/h4-14,24H,15H2,1-3H3
InChIKey
BUXSVYFHDGUPJN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3,4-Dimethoxyphenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine
CAS: 321686-01-5
CID: 4105499
Formula: C24H23NO2S
MW: 389.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.5
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass389.14495015
Monoisotopic Mass389.14495015
Topological Polar Surface Area56.1 Ų
Heavy Atom Count28
Formal Charge0
Complexity531
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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