WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 555891
CAS#: 442898-34-2
Description: ML008, also known as NCGC00092410, is a potent and selective inhibitor of glucocerebrosidase with IC50 of 31 nM.
MedKoo Cat#: 555891
Name: ML008
CAS#: 442898-34-2
Chemical Formula: C21H27N3O2
Exact Mass: 353.2103
Molecular Weight: 353.466
Elemental Analysis: C, 71.36; H, 7.70; N, 11.89; O, 9.05
ML008 is in stock.
Synonym: ML008; ML-008; ML 008; NCGC00092410; NCGC-00092410; NCGC 00092410;
IUPAC/Chemical Name: N-[4-Methyl-2-(4-morpholinyl)-6-quinolinyl]cyclohexanecarboxamide
InChi Key: BXVNPOBNVRBOOV-UHFFFAOYSA-N
InChi Code: InChI=1S/C21H27N3O2/c1-15-13-20(24-9-11-26-12-10-24)23-19-8-7-17(14-18(15)19)22-21(25)16-5-3-2-4-6-16/h7-8,13-14,16H,2-6,9-12H2,1H3,(H,22,25)
SMILES Code: O=C(C1CCCCC1)NC2=CC=C3N=C(N4CCOCC4)C=C(C)C3=C2
The following data is based on the product molecular weight 353.466 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
---|---|---|---|
1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
Zheng W, Padia J, Urban DJ, Jadhav A, Goker-Alpan O, Simeonov A, Goldin E, Auld D, LaMarca ME, Inglese J, Austin CP, Sidransky E. Three classes of glucocerebrosidase inhibitors identified by quantitative high-throughput screening are chaperone leads for Gaucher disease. Proc Natl Acad Sci U S A. 2007 Aug 7;104(32):13192-7. doi: 10.1073/pnas.0705637104. Epub 2007 Aug 1. PMID: 17670938; PMCID: PMC1936979.
Gaucher disease is an autosomal recessive lysosomal storage disorder caused by mutations in the glucocerebrosidase gene. Missense mutations result in reduced enzyme activity that may be due to misfolding, raising the possibility of small-molecule chaperone correction of the defect.