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α-Glucosidase-IN-15

CAT: 0804-HY-151135Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-151135Size:1 Each
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Description
α-Glucosidase-IN-15 (Compound 14B) is a potent, orally active α-glucosidase inhibitor with an IC50 of 3.34 μM. α-Glucosidase-IN-15 shows antidiabetic activity[1].
CAS Number
2820424-85-7
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-15.html
Solubility
10 mM in DMSO
Smiles
CC1=CC=C(C2=NC3=C(C=CC=C3)SC(C4=CC=C(N(C)C)C=C4)C2)C=C1
Molecular Formula
C24H24N2S
Molecular Weight
372.53
References & Citations
[1]Mehmood R, et al. Synthesis of Novel 2, 3-Dihydro-1, 5-Benzothiazepines as α-Glucosidase Inhibitors: In Vitro, In Vivo, Kinetic, SAR, Molecular Docking, and QSAR Studies. ACS Omega, 2022.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N,N-dimethyl-4-[4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]aniline
CAS Number2820424-85-7
PubChem CID164887595
IUPAC NameN,N-dimethyl-4-[4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]aniline
Molecular FormulaC24H24N2S
Molecular Weight372.5
XLogP5.6
Topological Polar Surface Area40.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity501
SMILES
CC1=CC=C(C=C1)C2=NC3=CC=CC=C3SC(C2)C4=CC=C(C=C4)N(C)C
InChI
InChI=1S/C24H24N2S/c1-17-8-10-18(11-9-17)22-16-24(19-12-14-20(15-13-19)26(2)3)27-23-7-5-4-6-21(23)25-22/h4-15,24H,16H2,1-3H3
InChIKey
OTFYCFPFAJIPLA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,N-dimethyl-4-[4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]aniline
CAS: 2820424-85-7
CID: 164887595
Formula: C24H24N2S
MW: 372.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.5
XLogP35.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass372.16601995
Monoisotopic Mass372.16601995
Topological Polar Surface Area40.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity501
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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