Desmethyl Celecoxib

Name: Desmethyl Celecoxib
Brand: MedChemExpress
SKU: HY-118139
Rating: 4.5 (1 reviews)

Cat. No.: HY-118139 Purity: 99.42%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

Desmethyl Celecoxib (compound 3b) is a selective cyclooxygenase-2 (COX-2) inhibitor (IC₅₀=32 nM) with anti-inflammatory activities. Desmethyl Celecoxib is an analog of Celecoxib and with the optimal yield of 75%.

For research use only. We do not sell to patients.

Desmethyl Celecoxib Chemical Structure

CAS No. : 170569-87-6

Size	Price	Stock	Quantity
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	USD 55	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	USD 55	In-stock	Estimated Time of Arrival: December 31
Solid
5 mg	USD 32	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 50	In-stock	Estimated Time of Arrival: December 31
25 mg	USD 90	In-stock	Estimated Time of Arrival: December 31
50 mg	USD 150	In-stock	Estimated Time of Arrival: December 31
100 mg	USD 250	In-stock	Estimated Time of Arrival: December 31
200 mg		Get quote
500 mg		Get quote

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Customer Review

Based on 1 publication(s) in Google Scholar

Other Forms of Desmethyl Celecoxib:

Celecoxib-d₄ Get quote

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Biological Activity
Purity & Documentation
References
Customer Review

Description

IC₅₀ & Target^[1]

COX-2

32 nM (IC₅₀)

Cellular Effect

Cell Line	Type	Value	Description	References
Sf21	IC₅₀	0.045 μM Compound: 33; CAY10452	Inhibition of human recombinant COX2 expressed in baculovirus infected sf21 cells assessed as decrease in PGE2 formation using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition measured after 45 mins by LC-MS analysis Inhibition of human recombinant COX2 expressed in baculovirus infected sf21 cells assessed as decrease in PGE2 formation using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition measured after 45 mins by LC-MS analysis	[PMID: 31774676]

Molecular Weight

367.35

Formula

C₁₆H₁₂F₃N₃O₂S

CAS No.

170569-87-6

Appearance

Solid

Color

White to off-white

SMILES

FC(F)(C1=NN(C(C2=CC=CC=C2)=C1)C3=CC=C(C=C3)S(=O)(N)=O)F

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	6 months
	-20°C	1 month

Solvent & Solubility

In Vitro:

DMSO : 250 mg/mL (680.55 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	2.7222 mL	13.6110 mL	27.2220 mL
5 mM	0.5444 mL	2.7222 mL	5.4444 mL
10 mM	0.2722 mL	1.3611 mL	2.7222 mL

View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Molarity Calculator
Dilution Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for in vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.08 mg/mL (5.66 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Protocol 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.08 mg/mL (5.66 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil
Solubility: ≥ 2.08 mg/mL (5.66 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

Dosing volume
(per animal)

μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

DMSO +

Tween-80 +

Saline

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Calculation results:

Working solution concentration: mg/mL

Method for preparing stock solution: mg drug dissolved in μL DMSO (Stock solution concentration: mg/mL).

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).

Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.

If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.

Purity & Documentation

Purity: 99.42%

Select Batch:

Data Sheet (274 KB) SDS (393 KB)

COA (253 KB) HNMR (283 KB) LCMS (268 KB)

Handling Instructions (2659 KB)

References

[1]. Vinay Kumar Sthalam, et al. An Integrated Continuous Flow Micro-Total Ultrafast Process System (μ-TUFPS) for the Synthesis of Celecoxib and Other Cyclooxygenase Inhibitors. RETURN TO ISSUEPREVARTICLENEXT

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	2.7222 mL	13.6110 mL	27.2220 mL	68.0550 mL
	5 mM	0.5444 mL	2.7222 mL	5.4444 mL	13.6110 mL
	10 mM	0.2722 mL	1.3611 mL	2.7222 mL	6.8055 mL
	15 mM	0.1815 mL	0.9074 mL	1.8148 mL	4.5370 mL
	20 mM	0.1361 mL	0.6805 mL	1.3611 mL	3.4027 mL
	25 mM	0.1089 mL	0.5444 mL	1.0889 mL	2.7222 mL
	30 mM	0.0907 mL	0.4537 mL	0.9074 mL	2.2685 mL
	40 mM	0.0681 mL	0.3403 mL	0.6805 mL	1.7014 mL
	50 mM	0.0544 mL	0.2722 mL	0.5444 mL	1.3611 mL
	60 mM	0.0454 mL	0.2268 mL	0.4537 mL	1.1342 mL
	80 mM	0.0340 mL	0.1701 mL	0.3403 mL	0.8507 mL
	100 mM	0.0272 mL	0.1361 mL	0.2722 mL	0.6805 mL