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Saxagliptin hydrochloride

CAT: 0931-T6203LSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T6203LSize:5 mg
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CAS Number
709031-78-7
Target
Proteasome, Others
Related Pathways
Proteases/Proteasome, Others, Ubiquitination
Bioactivity
Saxagliptin is a new oral hypoglycemic of the new dipeptidyl peptidase-4 (DPP-4) inhibitor class of drugs. Saxagliptin is a competitive DPP4 inhibitor that slows the inactivation of the incretin hormones and reducing fasting and postprandial glucose concentrations in a glucose-dependent manner in patients with type 2 diabetes mellitus.
Smiles
Cl.[H][C@@]12C[C@]1([H])N([C@@H](C2)C#N)C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2
Molecular Formula
C18H26ClN3O2
Molecular Weight
351.87
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Saxagliptin Hydrochloride

Saxagliptin Hydrochloride is the hydrochloride salt form of saxagliptin, an orally bioavailable, potent, selective and competitive, cyanopyrrolidine-based inhibitor of dipeptidyl peptidase 4 (DPP-4), with hypoglycemic activity. Saxagliptin is metabolized into an, although less potent, active mono-hydroxy metabolite.

CAS Number709031-78-7
PubChem CID49800073
IUPAC Name(1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile;hydrochloride
Molecular FormulaC18H26ClN3O2
Molecular Weight351.9
Topological Polar Surface Area90.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity609
SMILES
C1[C@@H]2C[C@@H]2N([C@@H]1C#N)C(=O)[C@H](C34CC5CC(C3)CC(C5)(C4)O)N.Cl
InChI
InChI=1S/C18H25N3O2.ClH/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17;/h10-15,23H,1-7,9,20H2;1H/t10?,11?,12-,13+,14+,15-,17?,18?;/m1./s1
InChIKey
TUAZNHHHYVBVBR-NHKADLRUSA-N
Chemical Structure
2D Structure
2D structure of Saxagliptin Hydrochloride
CAS: 709031-78-7
CID: 49800073
Formula: C18H26ClN3O2
MW: 351.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight351.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass351.1713548
Monoisotopic Mass351.1713548
Topological Polar Surface Area90.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity609
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes