(2S)-1-{N-[4-Methyl-1-(2-Pyrimidinyl)-4-Piperidinyl]Glycyl}-2-Pyrrolidinecarbonitrile
[CAS# 440100-64-1]

Identification

• Name: (2S)-1-{N-[4-Methyl-1-(2-Pyrimidinyl)-4-Piperidinyl]Glycyl}-2-Pyrrolidinecarbonitrile
• Synonyms: (2S)-1-[[[4-Methyl-1-(2-pyrimidinyl)-4-piperidinyl]amino]acetyl]-2-pyrrolidinecarbonitrile; [440100-64-1]; Dipeptidylpeptidase IV Inhibitor IV, K579
• Molecular Formula: C₁₇H₂₄N₆O
• Molecular Weight: 328.41
• CAS Registry Number: 440100-64-1
• SMILES: CC1(CCN(CC1)C2=NC=CC=N2)NCC(=O)N3CCC[C@H]3C#N
• InChI: 1S/C17H24N6O/c1-17(21-13-15(24)23-9-2-4-14(23)12-18)5-10-22(11-6-17)16-19-7-3-8-20-16/h3,7-8,14,21H,2,4-6,9-11,13H2,1H3/t14-/m0/s1
• InChIKey: JERPHRNGJBSFAP-AWEZNQCLSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 583.0±60.0°C at 760 mmHg (Cal.)
• Flash point: 306.4±32.9°C (Cal.)
• Refractive index: 1.599 (Cal.)
• solubility: Soluble to 50 mM in 1eq. HCl and to 100 mM in DMSO