α-Glucosidase-IN-121
α-Glucosidase-IN-121 is a yeast α-glucosidase inhibitor with an IC50 of 3.8 μM and a Ki of 12.9 μM. α-Glucosidase-IN-121 binds to the active site of the enzyme, competes with substrate binding, and forms stable interactions with Phe137, Ser308, Pro309, Arg312 and Glu350 via hydrogen bonding, π-π stacking and hydrophobic interactions. α-Glucosidase-IN-121 can be used in the research of diabetes.
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- 화학식: C23H17N3O9S
- 분자량:511.46
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보관:
Please store the product under the recommended conditions in the Certificate of Analysis.
Biological Activity
제품 설명
IC50 & Target
[1]|
α‑glucosidase 12.9 μM (Ki) |
α‑glucosidase 3.8 μM (IC50) |
In Vitro
α-Glucosidase-IN-121 (compound 8) (10 μM; 20 min) can strongly inhibit α-glucosidase in Saccharomyces cerevisiae, with an IC50 of 3.8 μM; it can also be used as a competitive inhibitor of α-glucosidase in Saccharomyces cerevisiae, with a Ki value of 12.9 μM[1].
α-Glucosidase-IN-121 binds to Saccharomyces cerevisiae α-glucosidase with a binding energy of -11.3 kcal/mol via hydrogen bonds, π−π stacking, and a salt bridge with key active site residues[1].
α-Glucosidase-IN-121 forms a stable complex with Saccharomyces cerevisiae α-glucosidase over 100 ns of molecular dynamics simulation, maintaining consistent hydrogen bonding and reducing enzyme domain fluctuations[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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분자량 511.46
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화학식 C23H17N3O9S
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SMILES
O=[N+]([O-])C(C=C1)=CC=C1S(NNC(COC2=CC(O)=C(C(C=C(C3=CC=CC=C3)O4)=O)C4=C2)=O)(=O)=O
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선적
Room temperature in continental US; may vary elsewhere.
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보관
Please store the product under the recommended conditions in the Certificate of Analysis.
순도&문서
References
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)