(3S,11S)-N-[(2R,3S)-2-ethoxy-5-oxo-oxolan-3-yl]-3-(isoquinoline-1-carbonylamino)-2,6-dioxo-1,7-diaza

• CAT Number: M034379
• CAS Number: 192755-52-5
• Molecular Formula: C26H29N5O7
• Molecular Weight: 523.546
• Purity: ≥95%
• Synonyms: (3S,11S)-N-[(2R,3S)-2-ethoxy-5-oxo-oxolan-3-yl]-3-(isoquinoline-1-carbonylamino)-2,6-dioxo-1,7-diazabicyclo[5.4.0]undecane-11-carboxamide
• Target: IL-1beta converting enzyme inhibitor
• Storage: Store at -20°C
• IUPAC Name: (4S,7S)-N-[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]-7-(isoquinoline-1-carbonylamino)-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide
• InChI: InChI=1S/C26H29N5O7/c1-2-37-26-18(14-21(33)38-26)29-23(34)19-8-5-13-30-20(32)10-9-17(25(36)31(19)30)28-24(35)22-16-7-4-3-6-15(16)11-12-27-22/h3-4,6-7,11-12,17-19,26H,2,5,8-10,13-14H2,1H3,(H,28,35)(H,29,34)/t17-,18-,19-,26+/m0/s1
• InChIKey: CXAGHAZMQSCAKJ-WAHHBDPQSA-N
• SMILES: CCOC1C(CC(=O)O1)NC(=O)C2CCCN3N2C(=O)C(CCC3=O)NC(=O)C4=NC=CC5=CC=CC=C54

Pralnacasan is a caspase 1 (IL-1beta converting enzyme) inhibitor potentially for the treatment of osteoarthritis.

Reference

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