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Apratastat

Apratastat

  • CAT Number: I002604
  • CAS Number: 287405-51-0
  • Molecular Formula: C17H22N2O6S2
  • Molecular Weight: 414.49
  • Purity: ≥95%
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Apratastat (Cat.No:I002604), also known as TMI-005, is a matrix metalloproteinase/tumour necrosis factor-α convertase inhibitor.

Catalog Number I002604
CAS Number 287405-51-0
Molecular Formula

C17H22N2O6S2

Purity 95%
Target tumour necrosis factor-α convertase inhibitor
Solubility Soluble in DMSO
Storage Store at -20°C
IUPAC Name (3S)-N-hydroxy-4-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxamide
InChI InChI=1S/C17H22N2O6S2/c1-17(2)15(16(21)18-22)19(9-12-26-17)27(23,24)14-7-5-13(6-8-14)25-11-4-3-10-20/h5-8,15,20,22H,9-12H2,1-2H3,(H,18,21)/t15-/m0/s1
InChIKey MAVDNGWEBZTACC-HNNXBMFYSA-N
SMILES CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#CCO)C(=O)NO)C
Reference

</br>1:Pharmacokinetic-pharmacodynamic modeling of apratastat: a population-based approach. Shu C, Zhou H, Afsharvand M, Duan L, Zhang H, Noveck R, Raible D.J Clin Pharmacol. 2011 Apr;51(4):472-81. doi: 10.1177/0091270010372389. Epub 2010 Nov 8. PMID: 21059888 </br>2:Drug evaluation: apratastat, a novel TACE/MMP inhibitor for rheumatoid arthritis. Thabet MM, Huizinga TW.Curr Opin Investig Drugs. 2006 Nov;7(11):1014-9. PMID: 17117591

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