| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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| 500mg |
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| Other Sizes |
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| Targets |
EBI2 ( IC50 = 11 nM ); EBI2 ( IC50 = 16 nM )
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|---|---|
| ln Vitro |
NIBR189, an EBI2 antagonist, inhibits migration with an IC50 of 0.3 nM in U937 cells expressing functional EBI2 levels.[1]
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| ln Vivo |
NIBR189 possesses pharmacokinetic qualities that should enable its application in both in vitro and in vivo research. It is a strong and selective EBI2 antagonist.[1]
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| Cell Assay |
U937 cells were cultured in lipid-depleted media for the entire night before the migration assay. Using HTS Transwell-96 plates with 5.0 μm pore polycarbonate membranes, chemotaxis was carried out. Let's recap: 240 μL of compound solution in media containing 1% BSA instead of FCS was placed in lower chambers, and 0.75×105 cells in 75 μL media were added to the upper chamber once the filters were inserted. Using flow cytometry, the cells in the lower chamber were examined after three hours at 37°C.
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| Animal Protocol |
C57BL/6 male mice
1 mg/kg (i.v.); 3 mg/kg (p.o.) i.v., p.o. |
| References |
| Molecular Formula |
C21H21BRN2O3
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|---|---|
| Molecular Weight |
429.314
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| Exact Mass |
428.074
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| Elemental Analysis |
C, 58.75; H, 4.93; Br, 18.61; N, 6.53; O, 11.18
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| CAS # |
1599432-08-2
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| PubChem CID |
36295259
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| Appearance |
White to off-white solid powder
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| LogP |
3.331
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
27
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| Complexity |
530
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| Defined Atom Stereocenter Count |
0
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| SMILES |
BrC1C([H])=C([H])C(=C([H])C=1[H])/C(/[H])=C(\[H])/C(N1C([H])([H])C([H])([H])N(C(C2C([H])=C([H])C(=C([H])C=2[H])OC([H])([H])[H])=O)C([H])([H])C1([H])[H])=O
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| InChi Key |
OFHXXBRBGWUOHR-NYYWCZLTSA-N
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| InChi Code |
InChI=1S/C21H21BrN2O3/c1-27-19-9-5-17(6-10-19)21(26)24-14-12-23(13-15-24)20(25)11-4-16-2-7-18(22)8-3-16/h2-11H,12-15H2,1H3/b11-4+
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| Chemical Name |
(E)-3-(4-bromophenyl)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]prop-2-en-1-one
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| Synonyms |
NIBR189; NIBR 189; NIBR-189
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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: ~21~50 mg/mL (~48.9~116.5 mM)
Ethanol: ~4 mg/mL |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (5.82 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 sonication.
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. Solubility in Formulation 2: ≥ 2.5 mg/mL (5.82 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 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. View More
Solubility in Formulation 3: (saturation unknown) in 5%DMSO + 40%PEG300 + 5%Tween 80+ 50%ddH2O：1.05mg/ml (2.45mM) (add these co-solvents sequentially from left to right, and one by one), |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3293 mL | 11.6466 mL | 23.2932 mL | |
| 5 mM | 0.4659 mL | 2.3293 mL | 4.6586 mL | |
| 10 mM | 0.2329 mL | 1.1647 mL | 2.3293 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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