Celecoxib-d3
Based on 1 Customer Validation
Celecoxib-d3 is the deuterium labeled Celecoxib. Celecoxib,a selective non-steroidal anti-inflammatory drug (NSAID), is a selective COX-2 inhibitor with an IC50 of 40 nM.
For research use only. We do not sell to patients.
- Purity: 99.0%
- CAS No.: 544686-18-2
- Formula: C17H11D3F3N3O2S
- Molecular Weight:384.39
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Storage:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Biological Activity
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Chemical Information
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Solvent & Solubility
- Purity & Documentation
- References
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Help & FAQs
Biological Activity
Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
1. This compound can be used as a tracer
2. This compound can be used as an internal standard for quantitative analysis by NMR, GC-MS, or LC-MS.
Chemical Information
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CAS No. 544686-18-2
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Unlabeled Cas 169590-42-5
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Appearance Solid
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Molecular Weight 384.39
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Formula C17H11D3F3N3O2S
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Color White to off-white
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SMILES
FC(F)(C1=NN(C2=CC=C(C=C2)S(N)(=O)=O)C(C3=CC=C(C=C3)C([2H])([2H])[2H])=C1)F
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Synonyms
SC 58635-d3
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Solvent & Solubility
DMF : ≥ 25 mg/mL (65.04 mM)
Ethanol : ≥ 25 mg/mL (65.04 mM)
DMSO : ≥ 15 mg/mL (39.02 mM; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
* "≥" means soluble, but saturation unknown.
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.
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.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Purity & Documentation
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Data Sheet (280 KB)
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SDS (252 KB)
- English - EN (252 KB)
- Français - FR (252 KB)
- Deutsch - DE (252 KB)
- Norwegian - NO (252 KB)
- Español - ES (252 KB)
- Swedish - SV (252 KB)
- Italian - IT (252 KB)
- Korean - KR (252 KB)
- Portuguese - PT (252 KB)
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Handling Instructions (2659 KB)
References
[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216. [Content Brief]
[2]. Penning TD, et al. Synthesis and biological evaluation of the 1,5-diarylpyrazole class of cyclooxygenase-2 inhibitors: identification of 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benze nesulfonamide (SC-58635, celecoxib). J Med Chem. 1997 [Content Brief]
[3]. Liu DB, et al. Celecoxib induces apoptosis and cell-cycle arrest in nasopharyngeal carcinoma cell lines via inhibition of STAT3 phosphorylation. Acta Pharmacol Sin. 2012 May;33(5):682-90. [Content Brief]
[4]. Suri A, et al. The effect of celecoxib on tumor growth in ovarian cancer cells and a genetically engineered mouse model of serous ovarian cancer. Oncotarget. 2016 Apr 8. [Content Brief]
[5]. Hou XL, et al. Combination of fasudil and celecoxib promotes the recovery of injured spinal cord in rats better than celecoxib or fasudil alone. Neural Regen Res. 2015 Nov;10(11):1836-40. [Content Brief]
[6]. Liu C, et al. Celecoxib alleviates nonalcoholic fatty liver disease by restoring autophagic flux. Sci Rep. 2018 Mar 7;8(1):4108. [Content Brief]
[7]. Pobbati AV, et al. A combat with the YAP/TAZ-TEAD oncoproteins for cancer therapy. Theranostics. 2020 Feb 18;10(8):3622-3635. [Content Brief]
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.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
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| DMSO / DMF / Ethanol | 1 mM | 2.6015 mL | 13.0076 mL | 26.0152 mL | 65.0381 mL |
| 5 mM | 0.5203 mL | 2.6015 mL | 5.2030 mL | 13.0076 mL | |
| 10 mM | 0.2602 mL | 1.3008 mL | 2.6015 mL | 6.5038 mL | |
| 15 mM | 0.1734 mL | 0.8672 mL | 1.7343 mL | 4.3359 mL | |
| 20 mM | 0.1301 mL | 0.6504 mL | 1.3008 mL | 3.2519 mL | |
| 25 mM | 0.1041 mL | 0.5203 mL | 1.0406 mL | 2.6015 mL | |
| 30 mM | 0.0867 mL | 0.4336 mL | 0.8672 mL | 2.1679 mL | |
| DMF / Ethanol | 40 mM | 0.0650 mL | 0.3252 mL | 0.6504 mL | 1.6260 mL |
| 50 mM | 0.0520 mL | 0.2602 mL | 0.5203 mL | 1.3008 mL | |
| 60 mM | 0.0434 mL | 0.2168 mL | 0.4336 mL | 1.0840 mL |
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