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APD668 10mg

CAT: 0628-A14342-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A14342-10Size:10 mg
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CAS Number
832714-46-2

Chemical Information

Apd-668

APD668 is a novel, highly potent and orally active glucose-dependent insulinotropic receptor (GDIR) agonist intended to more efficiently stimulate insulin release by beta cells in response to elevated blood glucose levels, and to also avoid hypoglycemia.

CAS Number832714-46-2
PubChem CID11705608
IUPAC Namepropan-2-yl 4-[1-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate
Molecular FormulaC21H24FN5O5S
Molecular Weight477.5
XLogP2.7
Topological Polar Surface Area125
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity788
SMILES
CC(C)OC(=O)N1CCC(CC1)OC2=NC=NC3=C2C=NN3C4=C(C=C(C=C4)S(=O)(=O)C)F
InChI
InChI=1S/C21H24FN5O5S/c1-13(2)31-21(28)26-8-6-14(7-9-26)32-20-16-11-25-27(19(16)23-12-24-20)18-5-4-15(10-17(18)22)33(3,29)30/h4-5,10-14H,6-9H2,1-3H3
InChIKey
XTRUQJBVQBUKSQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Apd-668
CAS: 832714-46-2
CID: 11705608
Formula: C21H24FN5O5S
MW: 477.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight477.5
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass477.14821822
Monoisotopic Mass477.14821822
Topological Polar Surface Area125 Ų
Heavy Atom Count33
Formal Charge0
Complexity788
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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