| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
COX-1 (human COX-1 IC50 = 18 nM in CHO cells) and COX-2 (human COX-2 IC50 = 26 nM in CHO cells); also affects autophagic flux by interfering with lysosomal function. The D4-labeled compound has the same target profile as the non-deuterated parent drug.
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|---|---|
| ln Vitro |
As a labeled internal standard, Indomethacin-D4 is not used for activity assays; its biological activity profile is identical to indomethacin. Non-deuterated indomethacin has IC50s of 18 nM (COX-1) and 26 nM (COX-2) in CHO cells. It disrupts autophagic flux by interfering with the normal functioning of lysosomes.
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| ln Vivo |
As an internal standard, Indomethacin-D4 is not used for in vivo activity studies. Non-deuterated indomethacin has well-documented in vivo anti-inflammatory, analgesic, and antipyretic activity, and is clinically used. Specific in vivo data for the D4-labeled form are not applicable; its sole function is as an internal standard for bioanalysis.
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| Enzyme Assay |
Not applicable. Indomethacin-D4 is used as a chemical internal standard; it does not undergo enzyme/receptor binding assays. The non-deuterated compound is a non-selective COX-1/COX-2 inhibitor, but assays are typically not performed on the labeled form due to its intended analytical use.
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| Cell Assay |
Not applicable. Indomethacin-D4 is an internal standard and is not used to treat cells for activity assessment. The non-deuterated compound has been studied in cell assays (e.g., CHO cells expressing human COX-1/COX-2 for IC50 determination). However, such assays are typically performed on the non-labeled version to avoid isotope effects on enzyme kinetics.
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| Animal Protocol |
Not applicable. The D4-labeled form is an analytical internal standard, not an investigational drug. In vivo PK/PD studies would be performed on non-labeled indomethacin; the D4-labeled form is added to biological samples (plasma, tissue homogenates) before extraction to correct for recovery and ionization efficiency in LC-MS/MS quantification.
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| ADME/Pharmacokinetics |
Indomethacin-D4 is an analytical standard, not a drug; no PK studies are performed on this compound specifically. It is used as an internal standard for the quantification of indomethacin in PK samples. Non-deuterated indomethacin has extensive PK data: oral absorption, high protein binding (~99%), hepatic metabolism (glucuronidation, CYP2C9), and elimination half-life 2-5 hours.
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| Toxicity/Toxicokinetics |
Danger: Fatal if swallowed (H300). May cause serious gastrointestinal adverse events (inflammation, bleeding, ulceration, perforation) and serious skin reactions (exfoliative dermatitis, Stevens-Johnson syndrome, toxic epidermal necrolysis) which may be fatal. Hepatic reactions (jaundice, hepatitis, fatal cases reported) on rare occasions. May cause respiratory tract irritation if inhaled; may cause skin/eye irritation. Labeled compound retains toxicity profile of parent drug; handle as a hazardous material.
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| References |
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| Additional Infomation |
Indomethacin-D4 is a stable isotope-labeled form of indomethacin, a non-selective COX-1/COX-2 inhibitor NSAID. The compound contains four deuterium atoms on the chlorobenzoyl ring, giving a mass shift of +4 Da relative to native indomethacin (molecular weight 361.81 vs 357.79). Used as an internal standard for regulatory bioanalysis, method development, and quality control in pharmaceutical development. Not an active pharmaceutical ingredient itself; for research and reference standard use only. Purity typically ≥98%.
|
| Molecular Formula |
C₁₉H₁₂D₄CLNO₄
|
|---|---|
| Molecular Weight |
361.81
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| Exact Mass |
361.102
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| CAS # |
87377-08-0
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| Related CAS # |
Indomethacin;53-86-1;Indomethacin sodium hydrate;74252-25-8
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| PubChem CID |
45039565
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| Appearance |
White to light yellow solid powder
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| LogP |
3.927
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
25
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| Complexity |
506
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
[2H]C1=C(C(=C(C(=C1C(=O)N2C(=C(C3=C2C=CC(=C3)OC)CC(=O)O)C)[2H])[2H])Cl)[2H]
|
| InChi Key |
CGIGDMFJXJATDK-LNFUJOGGSA-N
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| InChi Code |
InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)/i3D,4D,5D,6D
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| Chemical Name |
2-[1-(4-chloro-2,3,5,6-tetradeuteriobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
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| Synonyms |
IndomethacinD4; Indomethacin D4
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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 | 2.7639 mL | 13.8194 mL | 27.6388 mL | |
| 5 mM | 0.5528 mL | 2.7639 mL | 5.5278 mL | |
| 10 mM | 0.2764 mL | 1.3819 mL | 2.7639 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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