DATASHEET
Formulation
Powder
Storage:
Store in dry, dark place at -20C for 1 year.
Product Information:
Molecular Weight: 433.54
Formula: C26 H31 N3 O3
CAS Number: 1417700-13-0
InChi Key: JXGIYKRRPGCLFV-JOCHJYFZSA-N
InChi: InChI=1S/C26H31N3O3/c1-25(2,3)19-11-13-20(14-12-19)29(24(31)21-10-8-16-32-21)22(18-9-7-15-27-17-18)23(30)28-26(4,5)6/h7-17,22H,1-6H3,(H,28,30)/t22-/m1/s1
Smiles: CC(C)(C)C1C=CC(=CC=1)N([C@H](C1C=NC=CC=1)C(=O)NC(C)(C)C)C(=O)C1=CC=CO1
Purity: 98.0
Solubility: Soluble in DMSO
Appearance: Solid Power.
Shelf Life: 1.0 years
Description:
ML188 is a Potent Noncovalent Small Molecule Inhibitor of the Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV) 3CL Protease. The X-ray structure of SARS-CoV 3CLpro bound with ML188 was instrumental in guiding subsequent rounds of chemistry optimization. ML188 provides an excellent starting point for the further design and refinement of 3CLpro inhibitors that act by a noncovalent mechanism of action.