≥98% 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.
Retagliptin (SP2086) is a selective, competitive and orally active dipeptidyl peptidase-4 (DPP-4) inhibitor. Retagliptin can be used for type 2 diabetes mellitus (T2DM) research.
In Vitro
Retagliptin is a class of compound used for research of type 2 diabetes. Retagliptin inhibits the degradation of GLP-1, thus amplifying the incretin effect. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
| Sorrisos canónicos | COC(=O)C1=C2CN(CCN2C(=N1)C(F)(F)F)C(=O)CC(CC3=CC(=C(C=C3F)F)F)N |
|---|---|
| IUPAC Name | methyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate |
| InChIKey | WIIAMRXFUJLYEF-SNVBAGLBSA-N |
| INCHI | 1S/C19H18F6N4O3/c1-32-17(31)16-14-8-28(2-3-29(14)18(27-16)19(23,24)25)15(30)6-10(26)4-9-5-12(21)13(22)7-11(9)20/h5,7,10H,2-4,6,8,26H2,1H3/t10-/m1/s1 |
| SMILES isoméricas | COC(=O)C1=C2CN(CCN2C(=N1)C(F)(F)F)C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N |
| CAS alternativo | 1174122-54-3 |
| PubChem CID | 44193830 |
| Peso molecular | 464.36 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Classe | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives |
| Direct Parent | Beta amino acids and derivatives |
| Alternative Parents | Amphetamines and derivatives Aralkylamines Fluorobenzenes Carbonylimidazoles N-substituted imidazoles Aryl fluorides Vinylogous amides Tertiary carboxylic acid amides Methyl esters Heteroaromatic compounds Tertiary amines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organofluorides Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Beta amino acid or derivatives - Amphetamine or derivatives - Imidazole-4-carbonyl group - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Tertiary carboxylic acid amide - Vinylogous amide - Methyl ester - Azole - Imidazole - Heteroaromatic compound - Tertiary amine - Carboxamide group - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Primary amine - Hydrocarbon derivative - Primary aliphatic amine - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Descrição | This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom. |
| External Descriptors | Not available |
| Solubilidade | DMSO : 100 mg/mL (215.35 mM; Need ultrasonic) |
|---|---|
| Peso molecular | 464.400 g/mol |
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 6 |
| Exact Mass | 464.128 Da |
| Monoisotopic Mass | 464.128 Da |
| Topological Polar Surface Area | 90.500 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 698.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
