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| 5mg |
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| Targets |
LP-922761 targets adapter protein-2 associated kinase 1 (AAK1). It is a potent AAK1 inhibitor with IC50 values of 4.8 nM in enzyme assays and 7.6 nM in cell assays. It also inhibits BMP-2 induced protein kinase (BIKE) with an IC50 of 24 nM.
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| ln Vitro |
In vitro, LP-922761 potently inhibits AAK1 with an IC50 of 4.8 nM. It exhibits some selectivity for AAK1 over BIKE. It shows no significant activity at opioid, adrenergic α2 or GABAA receptors.
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| ln Vivo |
LP-922761 replicates the peripheral compartment in mice, as evidenced by its brain pull ratio of 0.007 [1].
In vivo, LP-922761 is orally bioavailable and peripherally restricted. It has been studied for its potential in treating neuropathic pain through AAK1 inhibition. |
| Enzyme Assay |
In vitro enzyme assays measure the inhibition of AAK1 kinase activity using purified enzyme and a substrate. LP-922761 is incubated with AAK1, ATP, and a substrate, and kinase activity is measured. The IC50 is determined from dose-response curves.
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| Cell Assay |
In vitro cellular assays evaluate the inhibition of AAK1 in cell-based systems. Cells are treated with LP-922761, and AAK1 activity is measured. The cellular IC50 is determined from dose-response curves. Selectivity over other kinases is assessed using kinase profiling panels.
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| Animal Protocol |
In vivo animal experiments are conducted in rodent models of neuropathic pain. LP-922761 is administered orally, and pain relief is assessed using behavioral tests such as the von Frey test or hot plate test.
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| ADME/Pharmacokinetics |
LP-922761 has a molecular formula of C21H26N6O3 and a molecular weight of 410.47. It has a CAS number of 1454808-95-7. The compound is orally bioavailable and peripherally restricted. It should be stored at -20°C.
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| Toxicity/Toxicokinetics |
The toxicity profile of LP-922761 is not well documented in the literature. As an AAK1 inhibitor, its effects are related to modulation of kinase signaling. Standard toxicological studies would be required for clinical development.
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| References | |
| Additional Infomation |
LP-922761 is a research compound being developed for the treatment of neuropathic pain. It is a potent and selective AAK1 inhibitor that is orally bioavailable. Inhibition of AAK1 kinase represents a novel therapeutic approach for neuropathic pain.
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| Molecular Formula |
C21H26N6O3
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|---|---|
| Molecular Weight |
410.469543933868
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| Exact Mass |
410.206
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| CAS # |
1454808-95-7
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| Related CAS # |
LP-922761 hydrate
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| PubChem CID |
86696405
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| Appearance |
Off-white to gray solid powder
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| LogP |
2.1
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
30
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| Complexity |
602
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C(N(C)CCNC1C=CC2=NC=C(C3C=CC(C(N)=O)=CC=3)N2N=1)=O)C(C)(C)C
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| InChi Key |
YNQNYIHMAZLJAV-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H26N6O3/c1-21(2,3)30-20(29)26(4)12-11-23-17-9-10-18-24-13-16(27(18)25-17)14-5-7-15(8-6-14)19(22)28/h5-10,13H,11-12H2,1-4H3,(H2,22,28)(H,23,25)
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| Chemical Name |
tert-butyl N-[2-[[3-(4-carbamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-N-methylcarbamate
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| Synonyms |
LP 922761; LP922761; LP-922761
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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 (~101.52 mM)
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4362 mL | 12.1812 mL | 24.3623 mL | |
| 5 mM | 0.4872 mL | 2.4362 mL | 4.8725 mL | |
| 10 mM | 0.2436 mL | 1.2181 mL | 2.4362 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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