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α-Amylase-IN-8

CAT: 0931-T200194-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T200194-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1503788-07-5
Target
Amylase
Related Pathways
Metabolism
Bioactivity
α-Amylase-IN-8 (compound 44) serves as an inhibitor of α-amylase, exhibiting an IC 50 value of 58.1 μM. It is utilized in type 2 diabetes research.
Smiles
O=C(O)C1=CN=C(SC=2C=CC=C(OC)C2)C(N)=C1
Molecular Formula
C13H12N2O3S
Molecular Weight
276.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

alpha-Amylase-IN-8
CAS Number1503788-07-5
PubChem CID81439629
IUPAC Name5-amino-6-(3-methoxyphenyl)sulfanylpyridine-3-carboxylic acid
Molecular FormulaC13H12N2O3S
Molecular Weight276.31
XLogP2.1
Topological Polar Surface Area111
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity316
SMILES
COC1=CC(=CC=C1)SC2=C(C=C(C=N2)C(=O)O)N
InChI
InChI=1S/C13H12N2O3S/c1-18-9-3-2-4-10(6-9)19-12-11(14)5-8(7-15-12)13(16)17/h2-7H,14H2,1H3,(H,16,17)
InChIKey
MESYKGQIEHKKDJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of alpha-Amylase-IN-8
CAS: 1503788-07-5
CID: 81439629
Formula: C13H12N2O3S
MW: 276.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight276.31
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass276.05686342
Monoisotopic Mass276.05686342
Topological Polar Surface Area111 Ų
Heavy Atom Count19
Formal Charge0
Complexity316
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19239174-01α-Amylase-IN-8
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