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Saxagliptin (hydrate) (Standard)

CAT: 0804-HY-10285ARSize: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-10285ARSize:1 Each
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Description
Saxagliptin (hydrate) (Standard) is the analytical standard of Saxagliptin (hydrate) . This product is intended for research and analytical applications. Saxagliptin hydrate (BMS-477118 hydrate) is a potent, selective, reversible, competitive and orally active dipeptidyl peptidase-4 (DPP-4) (Ki = 0.6-1.3 nM) inhibitor. Saxagliptin hydrate has the peotential for type 2 diabetes mellitus research[1][2][3].
CAS Number
945667-22-1
Product Name Alternative
BMS-477118 (hydrate) (Standard)
UNSPSC
12352005
Target
Dipeptidyl Peptidase; Reference Standards
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Metabolic Disease
Smiles
N[C@@H]([C@](C[C@H](C1)C2)(C[C@@H]1C3)C[C@]23O)C(N([C@@H](C4)C#N)[C@@H]5[C@H]4C5)=O.O
Molecular Formula
C18H27N3O3
Molecular Weight
333.43
References & Citations
[1]Chun-Jun Li, et al. Saxagliptin Induces β-Cell Proliferation through Increasing Stromal Cell-Derived Factor-1α In Vivo and In Vitro. Front Endocrinol (Lausanne) . 2017 Nov 27;8:326.|[2]Darshan J Dave. Saxagliptin: A dipeptidyl peptidase-4 inhibitor in the treatment of type 2 diabetes mellitus. J Pharmacol Pharmacother. 2011 Oct;2 (4) :230-5.|[3]Carolyn F Deacon, et al. Saxagliptin: a new dipeptidyl peptidase-4 inhibitor for the treatment of type 2 diabetes. Adv Ther. 2009 May;26 (5) :488-99.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Saxagliptin Hydrate

Saxagliptin hydrate is a hydrate that is the monohydrate form of anhydrous saxagliptin. Used for the treatment of Type II diabetes. It has a role as a hypoglycemic agent and an EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor. It contains a saxagliptin.

CAS Number945667-22-1
PubChem CID53297473
IUPAC Name(1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile;hydrate
Molecular FormulaC18H27N3O3
Molecular Weight333.4
Topological Polar Surface Area91.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
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.O
InChI
InChI=1S/C18H25N3O2.H2O/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;1H2/t10?,11?,12-,13+,14+,15-,17?,18?;/m1./s1
InChIKey
AFNTWHMDBNQQPX-NHKADLRUSA-N
Chemical Structure
2D Structure
2D structure of Saxagliptin Hydrate
CAS: 945667-22-1
CID: 53297473
Formula: C18H27N3O3
MW: 333.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass333.20524173
Monoisotopic Mass333.20524173
Topological Polar Surface Area91.4 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

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