(S)-Alogliptin | CAS No. 1108732-05-3

(S)-Alogliptin

Basic Information

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CAS Number

1108732-05-3

Molecular Formula

C18H21N5O2

Molecular Weight

339.39 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

Boiling Point

519.2±60.0 °C at 760 mmHg

Density

1.3±0.1 g/cm3

Flash Point

267.8±32.9 °C

Vapor Pressure

0.0±1.4 mmHg at 25°C

SMILES

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CN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2C#N)N3CCCC(C3)N

InChI

1S/C18H21N5O2.C7H6O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19;8-7(9)6-4-2-1-3-5-6/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3;1-5H,(H,8,9)

InChIKey

KEJICOXJTRHYAK-UHFFFAOYSA-N

Complexity

726

Safety Information

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Hazard Statement

Synonyms & References

English

(S)-2-((6-(3-aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4- dihydropyrimidin-1(2H)-yl)methyl)benzonitrile benzoate
2-[6-[3(R)-Aminopiperidin-1-yl]-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-ylmethyl]benzonitrile benzoate
AK143301
2-[[6-(3-aminopiperidin-1-yl)-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile;benzoic acid
2-[6-(3 -amino-piperidin-1-yl)-3 -methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin
Alogliptin Impurity 11;free base 1108732-05-3
(S)-2-((6-(3-aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile

FAQ

What are the physical and chemical properties of (S)-Alogliptin (CAS: 1108732-05-3)?

(S)-Alogliptin is a white to off-white solid with a molecular weight of approximately 332.3 g/mol. It has low water solubility, making it poorly soluble in water and more soluble in organic solvents like ethanol and methanol. Chemically, it is reactive towards reducing agents and can undergo hydrolysis under basic conditions. It is a potent inhibitor of dipeptidyl peptidase-4 (DPP-4) with high specificity and selectivity.

How is (S)-Alogliptin (CAS: 1108732-05-3) typically synthesized?

(S)-Alogliptin is typically synthesized through asymmetric synthesis. The key step involves the use of chiral auxiliaries and organocatalysts to achieve high enantiomeric excess. The synthetic route involves a series of reactions including alkylation, reduction, and chemical modification to introduce the necessary functional groups and chirality. The overall process yields (S)-Alogliptin with high purity and selectivity.

What industries use (S)-Alogliptin (CAS: 1108732-05-3)?

(S)-Alogliptin is primarily used in the pharmaceutical industry, where it serves as an active pharmaceutical ingredient (API) in the treatment of type 2 diabetes. It is also of interest in academic research for studying DPP-4 inhibitors and their mechanisms of action. While it has potential applications in other fields, its primary use remains in the development of drugs for diabetes management.

What precautions should be taken when handling (S)-Alogliptin (CAS: 1108732-05-3)?

When handling (S)-Alogliptin, it is essential to use personal protective equipment (PPE) such as gloves and safety glasses. It should be stored in a cool, dry place away from direct sunlight. In case of a spill, use appropriate absorbent materials and follow local waste disposal regulations. Always refer to the safety data sheet (SDS) for detailed handling and disposal information to ensure safe laboratory practice.