| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
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| 500mg |
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| 1g | |||
| 5g | |||
| Other Sizes |
| Targets |
ML008 targets glucocerebrosidase (GC). It inhibits GC with an IC50 of 31 nM. Glucocerebrosidase is the enzyme responsible for the breakdown of glucocerebroside, and its deficiency leads to Gaucher disease. Inhibition of this enzyme is used to model the disease in research settings.
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|---|---|
| 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].
In vitro, ML008 inhibits glucocerebrosidase with an IC50 of 31 nM. This demonstrates potent enzyme inhibition in biochemical assays, supporting its use as a tool compound for studying Gaucher disease. |
| ln Vivo |
Specific in vivo activity data for ML008 are not extensively reported. As a GC inhibitor, it would be expected to modulate glucocerebroside levels in vivo. Further studies would be required to evaluate its efficacy in animal models of Gaucher disease.
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| Enzyme Assay |
Glucocerebrosidase activity is measured using fluorogenic substrates such as 4-methylumbelliferyl-β-D-glucopyranoside. The enzyme is incubated with the substrate in the presence of ML008 at varying concentrations, and IC50 values are calculated.
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| Cell Assay |
Cellular activity of ML008 is evaluated in cell models of Gaucher disease. Cells are treated with the compound, and glucocerebroside accumulation is measured to assess GC inhibition.
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| Animal Protocol |
In vivo efficacy of ML008 would typically be evaluated in mouse models of Gaucher disease. Animals would be administered the compound, and tissue glucocerebroside levels would be measured.
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| ADME/Pharmacokinetics |
ML008 has a molecular formula of C21H27N3O2 and a molecular weight of 353.46. It is soluble in DMSO (41.67 mg/mL). The compound has a predicted density of 1.210±0.06 g/cm3 and a pKa of 14.93±0.20.
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| Toxicity/Toxicokinetics |
Toxicological data for ML008 are limited. The compound is intended for research use only. Standard laboratory safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
N-[4-methyl-2-(4-morpholino)-6-quinolino]cyclohexaneformamide is an aminoquinoline.
ML008 is also known as NCGC00092410. It is a potent glucocerebrosidase inhibitor (IC50 = 31 nM) used for research on Gaucher disease. It is a valuable tool for studying the pathophysiology of Gaucher disease and for developing potential therapeutic strategies. |
| Molecular Formula |
C21H27N3O2
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|---|---|
| Molecular Weight |
353.457985162735
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| Exact Mass |
353.21
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| Elemental Analysis |
C, 71.36; H, 7.70; N, 11.89; O, 9.05
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| CAS # |
442898-34-2
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| PubChem CID |
5067281
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
3.9
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
26
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| Complexity |
474
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3CCCCC3)N4CCOCC4
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| InChi Key |
BXVNPOBNVRBOOV-UHFFFAOYSA-N
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| 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)
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| Chemical Name |
N-[4-Methyl-2-(4-morpholinyl)-6-quinolinyl]cyclohexanecarboxamide
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| Synonyms |
ML008; ML-008; ML 008; NCGC00092410; NCGC-00092410; NCGC 00092410;
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
DMSO : ~41.67 mg/mL (~117.89 mM)
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|---|---|
| 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.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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