| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
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| Other Sizes |
| Targets |
This compound is an inactive isomer and therefore does not possess the pharmacological target specificity of the active parent compound. The active enantiomer (INCB3344) targets the CCR2 chemokine receptor, an important mediator of monocyte/macrophage migration in inflammatory diseases.
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|---|---|
| ln Vitro |
As an inactive isomer, cis-INCB3344 exhibits no significant activity against its intended target. For comparison, the active isomer INCB3344 is a potent CCR2 antagonist with IC50 values of 5.1 nM (hCCR2) and 9.5 nM (mCCR2) for binding.
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| ln Vivo |
cis-INCB3344 demonstrates no in vivo pharmacological activity. The active isomer INCB3344 has shown oral bioavailability and efficacy in reducing macrophage accumulation, hypertension, and disease progression in various rodent models of inflammation.
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| Enzyme Assay |
Not specified for the inactive isomer. Standard assays for CCR2 antagonists involve radioligand binding assays using membrane preparations from CCR2-transfected cells. The compound is incubated with a labeled ligand, and binding is quantified by filtration or scintillation proximity.
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| Cell Assay |
Not specified for this compound. Standard protocols for evaluating CCR2 activity involve chemotaxis assays. Cells expressing CCR2 are placed in a transwell chamber, and the test compound is added to the lower chamber containing a chemokine (e.g., CCL2). Inhibition of migration is measured after incubation.
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| Animal Protocol |
In vivo animal protocols for CCR2 active antagonists typically use rodent models of inflammation (e.g., thioglycollate-induced peritonitis or DSS-induced colitis). The compound is administered orally, and the subsequent reduction in monocyte/macrophage recruitment is quantified.
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| ADME/Pharmacokinetics |
Not specified for cis-INCB3344. The active INCB3344 has been shown to have oral bioavailability. In a mouse model, a single 30 mg/kg dose achieved plasma levels sufficient to sustain CCR2 blockade for up to 12 hours.
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| Toxicity/Toxicokinetics |
Not specified for the inactive isomer. The safety profile of the active CCR2 antagonist INCB3344 has been studied in preclinical models; however, as an inactive control compound, cis-INCB3344 is not intended for detailed toxicological profiling.
|
| References |
[1]. Xue CB, et al. Discovery of INCB3344, a potent, selective and orally bioavailable antagonist of human and murine CCR2. Bioorg Med Chem Lett. 2010 Dec 15;20(24):7473-8
[2]. Zhao W, et al. Enrichment of Ly6Chi monocytes by multiple GM-CSF injections with HBV vaccine contributes to viral clearance in a HBV mouse model. Hum Vaccin Immunother. 2017 Dec 2;13(12):2872-2882. [3]. Aye-Mon A, et al. CCR2 upregulation in DRG neurons plays a crucial role in gastric hyperalgesia associated with diabetic gastropathy. Mol Pain. 2018 Jan-Dec;14:1744806917751322. [4]. Chan CT, et al. Reversal of vascular macrophage accumulation and hypertension by a CCR2 antagonist in deoxycorticosterone/salt-treated mice. Hypertension. 2012 Nov;60(5):1207-12. [5]. Brodmerkel CM, et al. Discovery and pharmacological characterization of a novel rodent-active CCR2 antagonist, INCB3344. J Immunol. 2005 Oct 15;175(8):5370-8. [6]. Cassini MF, et al. Mcp1 Promotes Macrophage-Dependent Cyst Expansion in Autosomal Dominant Polycystic Kidney Disease. J Am Soc Nephrol. 2018 Oct;29(10):2471-2481. [7]. Dansereau MA, et al. Spinal CCL2 pronociceptive action is no longer effective in CCR2 receptor antagonist-treated rats. J Neurochem. 2008 Jul;106(2):757-69. |
| Additional Infomation |
This compound is exclusively a research tool for use as a negative control. It has no therapeutic use, approved status, or active pharmacology. Its sole purpose is to ensure the specificity of results obtained with the active CCR2 antagonist INCB3344.
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| Molecular Formula |
C29H34F3N3O6
|
|---|---|
| Molecular Weight |
577.59
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| Exact Mass |
577.24
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| CAS # |
1285539-85-6
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| Related CAS # |
INCB3344;1262238-11-8
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| PubChem CID |
10008367
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| Appearance |
White to off-white solid powder
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| LogP |
4.552
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| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
10
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
41
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| Complexity |
915
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| Defined Atom Stereocenter Count |
2
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| SMILES |
CCOC1C(/N=C(/O)\C/N=C(\O)/C2=CC(C(F)(F)F)=CC=C2)CN(C2CCC(C3=CC4OCOC=4C=C3)(O)CC2)C1
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| InChi Key |
MZEOSVPWMSEFPW-XYCDVDSTSA-N
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| InChi Code |
InChI=1S/C29H34F3N3O6/c1-2-39-25-16-35(21-8-10-28(38,11-9-21)19-6-7-23-24(13-19)41-17-40-23)15-22(25)34-26(36)14-33-27(37)18-4-3-5-20(12-18)29(30,31)32/h3-7,12-13,21-22,25,38H,2,8-11,14-17H2,1H3,(H,33,37)(H,34,36)/t21?,22-,25-,28?/m0/s1
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| Chemical Name |
N-[2-[[(3S,4S)-1-[4-(1,3-benzodioxol-5-yl)-4-hydroxycyclohexyl]-4-ethoxypyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 1.7313 mL | 8.6567 mL | 17.3133 mL | |
| 5 mM | 0.3463 mL | 1.7313 mL | 3.4627 mL | |
| 10 mM | 0.1731 mL | 0.8657 mL | 1.7313 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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