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Imrecoxib

Alias: BAP909 BAP 909 BAP-909
Cat No.:V22518 Purity: =99.63%
Imrecoxib (BAP-909) is a selective cyclooxygenase 2 (COX-2) inhibitor (antagonist) with IC50 of 18 nM and can also inhibit COX1 activity with IC50 of 115 nM.
Imrecoxib
Imrecoxib Chemical Structure CAS No.: 395683-14-4
Product category: New12
This product is for research use only, not for human use. We do not sell to patients.
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Purity & Quality Control Documentation

Purity: =99.63%

Product Description
Imrecoxib (BAP-909) is a selective cyclooxygenase 2 (COX-2) inhibitor (antagonist) with IC50 of 18 nM and can also inhibit COX1 activity with IC50 of 115 nM. Imrecoxib (BAP-909) Imrecoxib has anti~inflammatory effects.
Biological Activity I Assay Protocols (From Reference)
ln Vitro
In U937 cells, imrecoxib (BAP-909) (0.1–10 µM; 24 hours) dose-dependently lowers COX-2 mRNA levels generated by PMA+LPS [1].
ln Vivo
Irecoxib (BAP-909) (gastrointestinal administration; 5-20 mg/kg; 1 hour before carrageenan injection) can decrease carrageenan-induced acute inflammation, with the strongest inhibitory effect at 4 hours [1]. Imrecoxib (BAP-909) (GI; 5-20 mg/kg; starting on day 7; day 26) decreases secondary paw swelling and prevents heat-inactivated BCG-induced inflammatory polyarthritis [ 1].
Cell Assay
RT-PCR[1]
Cell Types: U937 Cell
Tested Concentrations: 0.1 µM; 1µM; 10 µM
Incubation Duration: 24 hrs (hours)
Experimental Results: diminished COX-2 mRNA levels.
Animal Protocol
Animal/Disease Models: Rat carrageenan edema model [1]
Doses: 5 mg/kg, 10 mg/kg, 20 mg/kg Administration route: gastrointestinal administration; 5-20 mg/kg; carrageenan injection Results in the first 1 hour: Different doses can inhibit the edema reaction.

Animal/Disease Models: Rat adjuvant-induced arthritis (AIA) model [1]
Doses: 5 mg/kg, 10 mg/kg, 20 mg/kg
Route of Administration: gastrointestinal administration; 5-20 mg/kg; Starting on day 7; day 26
Experimental Results: 10 and 20 mg/kg doses inhibited adjuvant-induced chronic inflammation.
References

[1]. Imrecoxib: a novel and selective cyclooxygenase 2 inhibitor with anti-inflammatory effect. Acta Pharmacol Sin. 2004 Jul;25(7):927-31.

Additional Infomation
Imrecoxib has been used in trials studying the treatment of Knee Osteoarthritis.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C21H23NO3S
Molecular Weight
369.479
Exact Mass
369.139
CAS #
395683-14-4
PubChem CID
11682175
Appearance
White to off-white solid powder
Density
1.2±0.1 g/cm3
Boiling Point
604.1±55.0 °C at 760 mmHg
Flash Point
319.1±31.5 °C
Vapour Pressure
0.0±1.7 mmHg at 25°C
Index of Refraction
1.590
LogP
3.57
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
5
Heavy Atom Count
26
Complexity
645
Defined Atom Stereocenter Count
0
InChi Key
AXMZZGKKZDJGAZ-UHFFFAOYSA-N
InChi Code
InChI=1S/C21H23NO3S/c1-4-13-22-14-19(16-9-11-18(12-10-16)26(3,24)25)20(21(22)23)17-7-5-15(2)6-8-17/h5-12H,4,13-14H2,1-3H3
Chemical Name
4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1-propyl-2H-pyrrol-5-one
Synonyms
BAP909 BAP 909 BAP-909
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 Data
Solubility (In Vitro)
DMSO : ~100 mg/mL (~270.65 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.63 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 20.8 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: ≥ 2.08 mg/mL (5.63 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 20.8 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 2.7065 mL 13.5325 mL 27.0651 mL
5 mM 0.5413 mL 2.7065 mL 5.4130 mL
10 mM 0.2707 mL 1.3533 mL 2.7065 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.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
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  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
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  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
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Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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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