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α-Glucosidase-IN-82

CAT: 0013-GTR19250375-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19250375-01Size:25 mg
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Description
α-Glucosidase-IN-82 (compound 8l) is a potent small molecule α-glucosidase inhibitor with an IC50 of 13.66 μM, demonstrating 52-fold greater activity than acarbose in vitro. This inhibitor is a valuable research tool for investigating carbohydrate metabolism and diabetes-related enzymatic studies.
CAS Number
3076880-44-6
Field of Research
Metabolism Research
Smiles
CC1=C (C (N2N1C (=O) C3=CC=CC=C3C2=O) C4=CN (N=C4C5=CC=C (C=C5) OC) C6=CC=CC=C6) C (=O) C
Molecular Formula
C30H24N4O4
Molecular Weight
504.536
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

|A-Glucosidase-IN-82
CAS Number3076880-44-6
PubChem CID172676839
IUPAC Name2-acetyl-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3-methyl-1H-pyrazolo[1,2-b]phthalazine-5,10-dione
Molecular FormulaC30H24N4O4
Molecular Weight504.5
XLogP3.9
Topological Polar Surface Area84.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count38
Formal Charge0
Complexity983
SMILES
CC1=C(C(N2N1C(=O)C3=CC=CC=C3C2=O)C4=CN(N=C4C5=CC=C(C=C5)OC)C6=CC=CC=C6)C(=O)C
InChI
InChI=1S/C30H24N4O4/c1-18-26(19(2)35)28(34-30(37)24-12-8-7-11-23(24)29(36)33(18)34)25-17-32(21-9-5-4-6-10-21)31-27(25)20-13-15-22(38-3)16-14-20/h4-17,28H,1-3H3
InChIKey
NQTZOWFPSALFNZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of |A-Glucosidase-IN-82
CAS: 3076880-44-6
CID: 172676839
Formula: C30H24N4O4
MW: 504.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.5
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass504.17975526
Monoisotopic Mass504.17975526
Topological Polar Surface Area84.7 Ų
Heavy Atom Count38
Formal Charge0
Complexity983
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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