| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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ML604086 (ML-604086) is a novel and potent inhibitor of chemokine receptor CCR8 with anti-inflammatory activity. It can bind to CCR8 on circulating T-cells, inhibit CCL1 mediated chemotaxis and increase in intracellular Ca2+ concentrations.
| ln Vitro |
In a cell line that stably expresses cynomolgus monkey CCR8, ML604086 (0-100 μM) has IC50 values of 1.3 μM and 1.0 μM, respectively, which inhibit CCL1-mediated chemotaxis and raise intracellular Ca2+ concentration [2]. CCR8 on CCL1 and CD4 T cells is inhibited by ML604086 (10, 30 μM; 64 h). Adsorbed solution 5HT1a showed 30% and 70% inhibition rates at 10 and 30 μM, respectively [2].
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|---|---|
| ln Vivo |
Cynomolgus monkeys' airway acidic eosinophil growth, generation of proinflammatory cytokines, airway blockage, and compliance are all unaffected by ML604086 (1.038 mg/kg; intravenous cell infusion) [1].
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| Animal Protocol |
Animal/Disease Models: 3.0-5.0 kg male and female adult macaques (primate asthma model) [2]
Doses: 1.038 mg/kg Route of Administration: intravenous (iv) (iv)infusion Experimental Results: Does not affect allergen challenge and increased concentration of methacholine changes in airway resistance and compliance. |
| References |
| Molecular Formula |
C27H32N4O4S
|
|---|---|
| Molecular Weight |
508.632385253906
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| Exact Mass |
508.214
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| CAS # |
850330-18-6
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| PubChem CID |
57564362
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| Appearance |
White to off-white solid powder
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| LogP |
3.3
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
6
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
36
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| Complexity |
891
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| Defined Atom Stereocenter Count |
3
|
| SMILES |
S(C1=CC=C(NC(C2C=CC=CC=2C)=O)C2C=CC=CC1=2)(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H](N)C)C[C@H]1C
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| InChi Key |
FABRBEGQMXBELT-SELNLUPBSA-N
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| InChi Code |
InChI=1S/C27H32N4O4S/c1-17-8-4-5-9-20(17)26(32)29-24-12-13-25(22-11-7-6-10-21(22)24)36(34,35)30-23-14-15-31(16-18(23)2)27(33)19(3)28/h4-13,18-19,23,30H,14-16,28H2,1-3H3,(H,29,32)/t18-,19+,23-/m1/s1
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| Chemical Name |
N-[4-[[(3R,4R)-1-[(2S)-2-aminopropanoyl]-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
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| Synonyms |
ML 604086 ML-604086 ML604086
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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 : ~120 mg/mL (~235.93 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 6.25 mg/mL (12.29 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (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 62.5 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 6.25 mg/mL (12.29 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 62.5 mg/mL clear DMSO stock solution to 900 μL 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 | 1.9661 mL | 9.8303 mL | 19.6607 mL | |
| 5 mM | 0.3932 mL | 1.9661 mL | 3.9321 mL | |
| 10 mM | 0.1966 mL | 0.9830 mL | 1.9661 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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