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α-Glucosidase-IN-63

CAT: 0013-GTR19234539-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234539-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
α-Glucosidase-IN-63 (Compound 4d) is a potent dual inhibitor of α-glucosidase (IC50 = 0.44 μM) and human carbonic anhydrase II (Ki = 7.0 nM) . Its oral bioavailability supports research into diabetes and glaucoma, facilitating both in vitro enzymatic studies and in vivo pharmacological investigations.
CAS Number
2375866-82-1
Field of Research
Metabolism Research
Smiles
C (=C1SC (NC2=CC=C (S (N) (=O) =O) C=C2) =NC1=O) C3=CC=C (F) C=C3
Molecular Formula
C16H12FN3O3S2
Molecular Weight
377.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-[[5-[(4-Fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide
CAS Number2375866-82-1
PubChem CID176418997
IUPAC Name4-[[5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide
Molecular FormulaC16H12FN3O3S2
Molecular Weight377.4
XLogP2.7
Topological Polar Surface Area135
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity671
SMILES
C1=CC(=CC=C1C=C2C(=O)NC(=NC3=CC=C(C=C3)S(=O)(=O)N)S2)F
InChI
InChI=1S/C16H12FN3O3S2/c17-11-3-1-10(2-4-11)9-14-15(21)20-16(24-14)19-12-5-7-13(8-6-12)25(18,22)23/h1-9H,(H2,18,22,23)(H,19,20,21)
InChIKey
PLCMKIXLKJMLJX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[[5-[(4-Fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide
CAS: 2375866-82-1
CID: 176418997
Formula: C16H12FN3O3S2
MW: 377.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.4
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass377.03041176
Monoisotopic Mass377.03041176
Topological Polar Surface Area135 Ų
Heavy Atom Count25
Formal Charge0
Complexity671
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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