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| Targets |
BMS-911172 targets adaptor protein 2-associated kinase 1 (AAK1). AAK1 is a serine/threonine kinase involved in clathrin-mediated endocytosis and synaptic vesicle recycling. By inhibiting AAK1, BMS-911172 inhibits μ2 phosphorylation. The compound's brain-penetrant properties allow it to reach its target in the central nervous system. Its inhibition of AAK1 has potential therapeutic applications in neuropathic pain.
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| ln Vitro |
In vitro, BMS-911172 inhibits AAK1 with IC50 values of 12 nM and 35 nM. The compound inhibits μ2 phosphorylation, which is a key step in clathrin-mediated endocytosis. It is used in research to study the role of AAK1 in synaptic function and neuropathic pain. The compound's brain-penetrant properties make it suitable for studying AAK1 function in the central nervous system. Standard in vitro assays include kinase activity assays using purified AAK1 and assessment of μ2 phosphorylation in cell-based systems.
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| ln Vivo |
In vivo, BMS-911172 has potential as a therapeutic agent in neuropathic pain research. As a brain-penetrant AAK1 inhibitor, it would be expected to modulate synaptic vesicle recycling and neurotransmitter release in the central nervous system. However, comprehensive in vivo efficacy data from published literature are limited. The compound is used in preclinical research to study neuropathic pain and other AAK1-related conditions.
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| Enzyme Assay |
For non-cell-based receptor binding assays, BMS-911172 can be evaluated using purified AAK1 kinase. Kinase activity assays are performed using a suitable substrate and ATP in the presence of increasing concentrations of the test compound. The incorporation of phosphate into the substrate is measured using radioactive or fluorescence-based detection methods. IC50 values are calculated from the inhibition curves. Selectivity profiling is performed using a panel of related kinases to assess specificity.
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| Cell Assay |
For in vitro cellular assays, cells expressing AAK1 are cultured in appropriate media. Cells are treated with various concentrations of BMS-911172, and μ2 phosphorylation is assessed using Western blot with phospho-specific antibodies. The reduction in μ2 phosphorylation compared to control indicates AAK1 inhibition. IC50 values for cellular AAK1 inhibition are calculated from dose-response curves. Cytotoxicity is assessed using MTT or LDH assays to ensure that observed effects are not due to cell death.
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| Animal Protocol |
For in vivo animal studies, BMS-911172 can be administered to rodents via oral gavage or intraperitoneal injection. In models of neuropathic pain (e.g., spinal nerve ligation, chronic constriction injury, or chemotherapy-induced neuropathy), mechanical allodynia and thermal hyperalgesia are assessed using von Frey filaments and hot plate tests following compound administration. Dosing regimens vary depending on the specific model and desired exposure levels. Blood and tissue samples may be collected for pharmacokinetic analysis.
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| ADME/Pharmacokinetics |
BMS-911172 has a molecular weight of 339.34 and a molecular formula of C16H19F2N3O3. It is a solid with a purity of ≥99%. The compound is soluble in DMSO at 100 mg/mL. It is for research use only and is not intended for human consumption.
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| Toxicity/Toxicokinetics |
The toxicity profile of BMS-911172 has not been extensively reported. As an AAK1 inhibitor, potential adverse effects may include modulation of synaptic function and neurotransmitter release. The compound is for research use only and is not intended for human consumption. Standard toxicological evaluation would include acute and repeated-dose toxicity studies, as well as assessment of effects on the central nervous system.
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| References | |
| Additional Infomation |
BMS-911172 (CAS 1644248-18-9) is a brain-penetrant, selective inhibitor of adaptor protein 2-associated kinase 1 (AAK1). It inhibits AAK1 with IC50 values of 12 nM and 35 nM. It inhibits μ2 phosphorylation and has potential as a therapeutic agent in neuropathic pain research. It is available for research purposes only.
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| Molecular Formula |
C16H19F2N3O3
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| Molecular Weight |
339.33717083931
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| Exact Mass |
339.139
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| CAS # |
1644248-18-9
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| PubChem CID |
86582964
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
2.9
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
24
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| Complexity |
412
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| Defined Atom Stereocenter Count |
1
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| SMILES |
FC(OC1=C(C2=CN=CO2)C=CC(=C1)NC(C(CC(C)C)N)=O)F
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| InChi Key |
GCTFTMWXZFLTRR-GFCCVEGCSA-N
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| InChi Code |
InChI=1S/C16H19F2N3O3/c1-9(2)5-12(19)15(22)21-10-3-4-11(14-7-20-8-23-14)13(6-10)24-16(17)18/h3-4,6-9,12,16H,5,19H2,1-2H3,(H,21,22)/t12-/m1/s1
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| Chemical Name |
(2R)-2-amino-N-[3-(difluoromethoxy)-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide
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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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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: 100 mg/mL (294.69 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.37 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 25.0 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: 2.5 mg/mL (7.37 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9469 mL | 14.7345 mL | 29.4690 mL | |
| 5 mM | 0.5894 mL | 2.9469 mL | 5.8938 mL | |
| 10 mM | 0.2947 mL | 1.4734 mL | 2.9469 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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