ML008 | CAS#442898-34-2 | glucocerebrosidase inhibitor

MedKoo Cat#: 555891 | Name: ML008

Description:

WARNING: This product is for research use only, not for human or veterinary use.

ML008, also known as NCGC00092410, is a potent and selective inhibitor of glucocerebrosidase with IC50 of 31 nM.

Chemical Structure

ML008

CAS#442898-34-2

Theoretical Analysis

MedKoo Cat#: 555891

Name: ML008

CAS#: 442898-34-2

Chemical Formula: C21H27N3O2

Exact Mass: 353.2103

Molecular Weight: 353.47

Elemental Analysis: C, 71.36; H, 7.70; N, 11.89; O, 9.05

Price and Availability

Size	Price	Availability
100mg	USD 850.00	2 Weeks
200mg	USD 1,450.00	2 Weeks
500mg	USD 2,150.00	2 Weeks
1g	USD 2,950.00	2 Weeks
2g	USD 5,250.00	2 Weeks
5g	USD 8,650.00	2 Weeks

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Related CAS #

No Data

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

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>3 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

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.

Product Data

Product Data

Instruction

View handling instruction

Biological target:

NCGC00092410 is a potent, selective, and nonsugar glucocerebrosidase (GC) inhibitor, with an IC50 of 31 nM.

In vitro activity:

TBD

In vivo activity:

TBD

	Solvent	mg/mL	mM	comments
Solubility
	DMSO	41.7	117.89

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 353.47 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

Formulation protocol:

TBD

In vitro protocol:

TBD

In vivo protocol:

TBD

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.