ML008
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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.


Chemical Structure

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ML008
CAS# 442898-34-2

Theoretical Analysis

MedKoo Cat#: 555891
Name: ML008
CAS#: 442898-34-2
Chemical Formula: C21H27N3O2
Exact Mass: 353.21
Molecular Weight: 353.466
Elemental Analysis: C, 71.36; H, 7.70; N, 11.89; O, 9.05

Price and Availability

Size Price Availability Quantity
100mg USD 850 2 Weeks
200mg USD 1450 2 Weeks
500mg USD 2150 2 Weeks
1g USD 2950 2 Weeks
2g USD 5250 2 Weeks
5g USD 8650 2 Weeks
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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:
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

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 41.7 117.89

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.

Recalculate based on batch purity %
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

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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.