NCGC00092410 is a potent, selective and non-glucocerebrosidase (GC) inhibitor (antagonist) with IC50 of 31 nM. NCGC00092410 has no activity against related hydrolases. NCGC00092410 is a GC chaperone that can increase the activity and lysosomal localization of glucocerebrosidase in mutant cell lines. NCGC00092410 can be used for research on Gaucher disease.

Physicochemical Properties

Molecular Formula	C21H27N3O2
Molecular Weight	353.457985162735
Exact Mass	353.21
Elemental Analysis	C, 71.36; H, 7.70; N, 11.89; O, 9.05
CAS #	442898-34-2
PubChem CID	5067281
Appearance	Light yellow to yellow solid powder
LogP	3.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	26
Complexity	474
Defined Atom Stereocenter Count	0
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)
Chemical Name	N-[4-Methyl-2-(4-morpholinyl)-6-quinolinyl]cyclohexanecarboxamide
Synonyms	ML008; ML-008; ML 008; NCGC00092410; NCGC-00092410; NCGC 00092410;
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

ln Vitro	At varying substrate doses (10-150 μM), NCGC00092410 (7.3-130 nM; 25 min) reduces GC activity in a dose-dependent manner [1]. N370S mutant cells exhibit increased GC activity in response to NCGC00092410 (55-40 μM; 2 d) [1]. In Gaucher fibroblasts, NCGC00092410 (40 μM; 60-72 hours) enhances the lysosomal localization of GCs [1].
References	[1]. 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.
Additional Infomation	N-[4-methyl-2-(4-morpholinyl)-6-quinolinyl]cyclohexanecarboxamide is an aminoquinoline.

Solubility Data

Solubility (In Vitro)

DMSO : ~41.67 mg/mL (~117.89 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (5.88 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.8292 mL	14.1459 mL	28.2917 mL
	5 mM	0.5658 mL	2.8292 mL	5.6583 mL
	10 mM	0.2829 mL	1.4146 mL	2.8292 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.