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Substance Name: Pralnacasan [USAN:INN]
RN: 192755-52-5
UNII: N986NI319S
InChIKey: CXAGHAZMQSCAKJ-WAHHBDPQSA-N

Note

  • NSAID, ICE inhibitor & metastasis inhibitor.

Molecular Formulas

  • C26-H29-N5-O7
  • Unspecified

Molecular Weight

  • 523.543
 

Classification Codes

  • (Interleukin-1beta Converting Enzyme (Also Known as Caspase-1) Inhibitor)
  • Anti-Inflammatory Agents
  • Caspase-1 Inhibitor
  • Interleukin-1b Converting Enzyme
  • Treatment of Rheumatoid Arthritis
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Names and Synonyms

Name of Substance

  • Pralnacasan [USAN:INN]

Synonyms

  • (1S,9S)-N-((2R,3S)-2-Ethoxy-5-oxotetrahydrofuran-3-yl)-9-((isoquinolin-1-ylcarbonyl)amino)-6,10-dioxooctahydro-6-H-pyridazino(1,2-a)(1,2)diazepine-1-carboxamide
  • HMR 3480
  • HMR3480
  • HMR3480/VX-740
  • Pralnacasan
  • UNII-N986NI319S
  • VX 470
  • VX-740

Systematic Name

  • 6H-Pyridazino(1,2-a)(1,2)diazepine-1-carboxamide, N-((2R,3S)-2-ethoxytetrahydro-5-oxo-3-furanyl)octahydro-9-((1-isoquinolinylcarbonyl)amino)-6,10-dioxo-, (1S,9S)-

Registry Numbers

CAS Registry Number

  • 192755-52-5

FDA UNII

  • N986NI319S

System Generated Number

  • 0192755525

Structure Descriptors

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

N12N(C([C@H](CCC1=O)NC(=O)c1nccc3ccccc13)=O)[C@@H](CCC2)C(=O)N[C@@H]1[C@@H](OC(C1)=O)OCC