| Size | Price | Stock | Qty |
|---|---|---|---|
| 10mg |
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| 1g | |||
| Other Sizes |
| Targets |
MK-0686 targets the bradykinin B1 receptor, a G protein-coupled receptor that is upregulated in inflamed tissues and plays a role in pain and inflammation. By antagonizing this receptor, MK-0686 blocks the effects of bradykinin, a potent pro-inflammatory peptide, thereby reducing pain and inflammation.
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|---|---|
| ln Vitro |
In vitro, MK-0686 acts as a potent bradykinin B1 receptor antagonist. Its activity has been characterized in receptor binding and functional assays.
|
| ln Vivo |
In vivo, MK-0686 is orally available and has been studied in clinical trials for various pain conditions. Its autoinduction of metabolism in rhesus monkeys is a notable pharmacokinetic feature.
|
| Enzyme Assay |
The in vitro receptor binding assay for MK-0686 involves measuring its affinity for the bradykinin B1 receptor using radioligand binding techniques. The IC50 is determined from competition binding curves.
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| Cell Assay |
Cellular assays for MK-0686 involve measuring its ability to inhibit bradykinin-induced signaling in cells expressing the B1 receptor.
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| Animal Protocol |
In vivo efficacy of MK-0686 is evaluated in clinical trials for pain conditions.
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| ADME/Pharmacokinetics |
MK-0686 has a molecular weight of 486.84 g/mol and a molecular formula of C22H19ClF4N2O4. It is orally available.
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| Toxicity/Toxicokinetics |
The toxicity profile of MK-0686 has been evaluated in clinical studies.
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| References | |
| Additional Infomation |
MK0686 has been used in trials to study the treatment of osteoarthritis, pain, postoperative pain, neuralgia, and postherpetic neuralgia.
MK-0686 is an investigational drug that has been studied in clinical trials for pain and inflammation. It has not received regulatory approval. Its mechanism involves bradykinin B1 receptor antagonism. |
| Molecular Formula |
C22H19CLF4N2O4
|
|---|---|
| Molecular Weight |
486.84761
|
| Exact Mass |
486.097
|
| CAS # |
578727-68-1
|
| Related CAS # |
(Rac)-MK 0686; 1159193-97-1
|
| PubChem CID |
16102897
|
| Appearance |
White to off-white solid
|
| LogP |
6.001
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
8
|
| Rotatable Bond Count |
7
|
| Heavy Atom Count |
33
|
| Complexity |
761
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
ClC1=CC=CC(=C1C(=O)OC)C1C=CC(=C(C=1)F)[C@@H](C)NC(C1(CC1)NC(C(F)(F)F)=O)=O
|
| InChi Key |
WZZIQHIQMWJNLU-LLVKDONJSA-N
|
| InChi Code |
InChI=1S/C22H19ClF4N2O4/c1-11(28-19(31)21(8-9-21)29-20(32)22(25,26)27)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)18(30)33-2/h3-7,10-11H,8-9H2,1-2H3,(H,28,31)(H,29,32)/t11-/m1/s1
|
| Chemical Name |
methyl 2-chloro-6-[3-fluoro-4-[(1R)-1-[[1-[(2,2,2-trifluoroacetyl)amino]cyclopropanecarbonyl]amino]ethyl]phenyl]benzoate
|
| Synonyms |
MK-0686; MK 0686; MK0686
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO: ~100 mg/mL (~205.4 mM; with ultrasonication)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.14 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 DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0540 mL | 10.2701 mL | 20.5402 mL | |
| 5 mM | 0.4108 mL | 2.0540 mL | 4.1080 mL | |
| 10 mM | 0.2054 mL | 1.0270 mL | 2.0540 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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