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Vildagliptin

CAT: 0931-T1502-06Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-T1502-06Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
274901-16-5
Target
Apoptosis, Proteasome, Ferroptosis, DPP-4
Related Pathways
Proteases/Proteasome, Ubiquitination, Apoptosis
Purity
>99.99%
Bioactivity
Vildagliptin (LAF237) is a cyanopyrrolidine-based, orally bioavailable inhibitor of dipeptidyl peptidase 4 (DPP-4), with hypoglycemic activity. Vildagliptin's cyano moiety undergoes hydrolysis and this inactive metabolite is excreted mainly via the urine.
Smiles
OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCCC1C#N
Molecular Formula
C17H25N3O2
Molecular Weight
303.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Vildagliptin

Vildagliptin is an amino acid amide.

CAS Number274901-16-5
PubChem CID6918537
IUPAC Name(2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile
Molecular FormulaC17H25N3O2
Molecular Weight303.4
XLogP0.9
Topological Polar Surface Area76.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity523
SMILES
C1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#N
InChI
InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1
InChIKey
SYOKIDBDQMKNDQ-XWTIBIIYSA-N
Chemical Structure
2D Structure
2D structure of Vildagliptin
CAS: 274901-16-5
CID: 6918537
Formula: C17H25N3O2
MW: 303.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight303.4
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass303.19467705
Monoisotopic Mass303.19467705
Topological Polar Surface Area76.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity523
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
FV29102-01Vildagliptin

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