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α-Glucosidase-IN-45

CAT: 0804-HY-157311Size: 1 EachDry Ice: NoHazardous: No
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Description
α-Glucosidase-IN-45 (compound 11E) is an inhibitor of α-glucosidase. α-Glucosidase-IN-45 is a novel indol-fused pyrano[2,3-D]pyrimidine compound[1].
CAS Number
3026192-46-8
UNSPSC
12352005
Target
Glycosidase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/α-glucosidase-in-45.html
Solubility
10 mM in DMSO
Smiles
O=C(NC(C)=N1)C2=C1OC(C3=C4C=CC=C3)=C(N4C(C)=O)C2C5=CC=C(OC)C=C5
Molecular Formula
C23H19N3O4
Molecular Weight
401.41
References & Citations
[1]Ha Thanh Nguyen, et al. Synthesis, in vitro Α-Glucosidase, and acetylcholinesterase inhibitory activities of novel Indol-Fused Pyrano[2,3-D]Pyrimidine compounds.Bioorg Med Chem Lett. 2023.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

17-Acetyl-2-(4-methoxyphenyl)-6-methyl-9-oxa-5,7,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),6,11,13,15-hexaen-4-one
CAS Number3026192-46-8
PubChem CID169494218
IUPAC Name17-acetyl-2-(4-methoxyphenyl)-6-methyl-9-oxa-5,7,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),6,11,13,15-hexaen-4-one
Molecular FormulaC23H19N3O4
Molecular Weight401.4
XLogP2.4
Topological Polar Surface Area81.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count30
Formal Charge0
Complexity798
SMILES
CC1=NC2=C(C(C3=C(O2)C4=CC=CC=C4N3C(=O)C)C5=CC=C(C=C5)OC)C(=O)N1
InChI
InChI=1S/C23H19N3O4/c1-12-24-22(28)19-18(14-8-10-15(29-3)11-9-14)20-21(30-23(19)25-12)16-6-4-5-7-17(16)26(20)13(2)27/h4-11,18H,1-3H3,(H,24,25,28)
InChIKey
YLLPMQYDQMLWHP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 17-Acetyl-2-(4-methoxyphenyl)-6-methyl-9-oxa-5,7,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),6,11,13,15-hexaen-4-one
CAS: 3026192-46-8
CID: 169494218
Formula: C23H19N3O4
MW: 401.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight401.4
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass401.13755610
Monoisotopic Mass401.13755610
Topological Polar Surface Area81.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity798
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
α-Glucosidase-IN-45 | 0804-HY-157311 | Gentaur