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α-Glucosidase-IN-68

CAT: 0931-T88724-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T88724-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1624628-01-8
Target
Glucosidase, Cholinesterase (ChE), glycosidase
Related Pathways
Metabolism, Neuroscience
Bioactivity
α-Glucosidase-IN-68, also known as Compound 2, acts as an inhibitor of α-glucosidase (α-Glucosidase), AChE, and BChE, with IC50 values of 0.251 μM, 0.774 μM, and 0.793 μM respectively. The compound has demonstrated antioxidative capabilities, with IC50 values of 0.69 μM in DPPH assays and 0.02 μM in ABTS tests. Furthermore, α-Glucosidase-IN-68 exhibited anti-diabetic effects in a Streptozotocin-induced diabetic rat model.
Smiles
O=C(OCC)C1=C(NC2=CC=C(F)C=C2)CC(C3=CC=C(F)C=C3)N(C4=CC=C(F)C=C4)C1C5=CC=C(F)C=C5
Molecular Formula
C32H26F4N2O2
Molecular Weight
546.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

ethyl 4-(4-fluoroanilino)-1,2,6-tris(4-fluorophenyl)-3,6-dihydro-2H-pyridine-5-carboxylate
CAS Number1624628-01-8
PubChem CID139218000
IUPAC Nameethyl 4-(4-fluoroanilino)-1,2,6-tris(4-fluorophenyl)-3,6-dihydro-2H-pyridine-5-carboxylate
Molecular FormulaC32H26F4N2O2
Molecular Weight546.6
XLogP8.1
Topological Polar Surface Area41.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count40
Formal Charge0
Complexity855
SMILES
CCOC(=O)C1=C(CC(N(C1C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)NC5=CC=C(C=C5)F
InChI
InChI=1S/C32H26F4N2O2/c1-2-40-32(39)30-28(37-26-15-11-24(35)12-16-26)19-29(20-3-7-22(33)8-4-20)38(27-17-13-25(36)14-18-27)31(30)21-5-9-23(34)10-6-21/h3-18,29,31,37H,2,19H2,1H3
InChIKey
MQEOYVPELRBCBZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ethyl 4-(4-fluoroanilino)-1,2,6-tris(4-fluorophenyl)-3,6-dihydro-2H-pyridine-5-carboxylate
CAS: 1624628-01-8
CID: 139218000
Formula: C32H26F4N2O2
MW: 546.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight546.6
XLogP38.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass546.19304072
Monoisotopic Mass546.19304072
Topological Polar Surface Area41.6 Ų
Heavy Atom Count40
Formal Charge0
Complexity855
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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