Size | Price | Stock | Qty |
---|---|---|---|
25mg |
|
||
50mg |
|
||
100mg |
|
||
250mg |
|
||
500mg |
|
||
Other Sizes |
|
CCR2-RA-[R] is a novel and potent CCR2 receptor (C-C chemokine receptor type 2) antagonist (allosteric, IC50 = 103 nM) with anti-inflammatory activity.
ln Vitro |
Many small chemical antagonists of the chemokine receptor CCR2, a G protein-coupled receptor linked to a number of disorders characterized by chronic inflammation, have been created. CCR2-RA-[R] has a pIC50 value of 6.1 and replaces [125I]CCL2 from CCR2. For CCR2 and CCR5, CCR2-RA-[R] had pKDs of 8.8±0.1 and 7.0±0.1, respectively [2]. By preventing activation-related conformational changes and the creation of the G-protein binding interface, CCR2-RA-[R] non-competitively suppresses CCR2. The binding pocket of CCR2-RA-[R] is strongly occluded and has a well-balanced hydrophobic and polar composition, both of which contribute to the pocket's "drugability" [3].
|
---|---|
References |
[1]. Zweemer AJ, et al. Multiple binding sites for small-molecule antagonists at the CC chemokine receptor 2. Mol Pharmacol. 2013 Oct;84(4):551-61.
[2]. Zweemer AJ, et al. Discovery and mapping of an intracellular antagonist binding site at the chemokine receptor CCR2. Mol Pharmacol. 2014 Oct;86(4):358-68. [3]. Zheng Y, et al. Structure of CC chemokine receptor 2 with orthosteric and allosteric antagonists. Nature. 2016 Dec 15;540(7633):458-461. |
Molecular Formula |
C18H19CLFNO3
|
---|---|
Molecular Weight |
351.8
|
Exact Mass |
351.1037
|
CAS # |
512177-83-2
|
SMILES |
O=C1N(C2=CC=C(Cl)C=C2F)[C@H](C3CCCCC3)C(C(C)=O)=C1O
|
InChi Key |
VQNLJXWZGVRLBA-MRXNPFEDSA-N
|
InChi Code |
InChI=1S/C18H19ClFNO3/c1-10(22)15-16(11-5-3-2-4-6-11)21(18(24)17(15)23)14-8-7-12(19)9-13(14)20/h7-9,11,16,23H,2-6H2,1H3/t16-/m1/s1
|
Chemical Name |
(5R)-4-acetyl-1-(4-chloro-2-fluorophenyl)-5-cyclohexyl-1,5-dihydro-3-hydroxy-2H-pyrrol-2-one
|
Synonyms |
CCR2 RA [R]CCR2RA[R] CCR2-RA-[R]
|
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 : ~37.5 mg/mL (~106.59 mM)
|
---|---|
Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 3.75 mg/mL (10.66 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 37.5 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: ≥ 3.75 mg/mL (10.66 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 37.5 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 | 2.8425 mL | 14.2126 mL | 28.4252 mL | |
5 mM | 0.5685 mL | 2.8425 mL | 5.6850 mL | |
10 mM | 0.2843 mL | 1.4213 mL | 2.8425 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.