for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Vildagliptin-d 3 is the deuterium labeled Vildagliptin. Vildagliptin (LAF237) is a potent, stable, selective dipeptidyl peptidase IV (DPP-IV) inhibitor with an IC50 of 3.5 nM in human Caco-2 cells. Vildagliptin possesses excellent oral bioavailability and potent antihyperglycemic activity.
In Vitro
Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
| Canonical Smiles | C1CC(N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#N |
|---|---|
| IUPAC Name | (2S)-2,5,5-trideuterio-1-[2-[[(5S,7R)-3-hydroxy-1-adamantyl]amino]acetyl]pyrrolidine-2-carbonitrile |
| InChIKey | SYOKIDBDQMKNDQ-COZVPQRFSA-N |
| 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/i3D2,14D |
| Isomeric SMILES | [2H][C@]1(CCC(N1C(=O)CNC23C[C@H]4C[C@@H](C2)CC(C4)(C3)O)([2H])[2H])C#N |
| Alternate CAS | 1217546-82-1 |
| PubChem CID | 71752939 |
| Molecular Weight | 306.42 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acid amides |
| Alternative Parents | N-acylpyrrolidines Tertiary carboxylic acid amides Tertiary alcohols Cyclic alcohols and derivatives Nitriles Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid amide - N-acylpyrrolidine - Cyclic alcohol - Pyrrolidine - Tertiary alcohol - Tertiary carboxylic acid amide - Carboxamide group - Secondary aliphatic amine - Carbonitrile - Nitrile - Secondary amine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Alcohol - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxygen compound - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids. |
| External Descriptors | Not available |
