| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg | |||
| Other Sizes |
| Targets |
COX-1 and COX-2 (via its active metabolite amfenac).
|
|---|---|
| ln Vitro |
Nepafenac itself is a prodrug with weak COX inhibitory activity; its active metabolite amfenac inhibits COX-1 and COX-2. Amfenac inhibits prostaglandin synthase 1 with an IC50 of 64.3 uM and inhibits prostaglandin production in isolated rabbit iris/ciliary body.
|
| ln Vivo |
As a deuterated internal standard, Nepafenac D5 is not used for in vivo activity assessment. The parent compound Nepafenac demonstrates anti-inflammatory efficacy in animal models of ocular inflammation.
|
| Enzyme Assay |
Not applicable for the deuterated form. For the parent compound, COX-1 and COX-2 enzyme activity assays measure the inhibition of prostaglandin synthesis using purified enzymes or tissue homogenates.
|
| Cell Assay |
Not applicable for the deuterated form. For the parent compound, cell-based assays measure prostaglandin production in inflammatory cells (e.g., macrophages) stimulated with LPS.
|
| Animal Protocol |
Not applicable for the deuterated form. For the parent compound, animal models of ocular inflammation (e.g., trauma-induced or endotoxin-induced uveitis) are used to assess anti-inflammatory efficacy.
|
| ADME/Pharmacokinetics |
As a deuterated compound, Nepafenac D5 exhibits similar pharmacokinetic properties to the parent compound but with improved metabolic stability due to the kinetic isotope effect. It is well absorbed into ocular tissues following topical administration.
|
| Toxicity/Toxicokinetics |
The deuterated form is considered safe for use as an analytical standard. The parent compound Nepafenac is generally well-tolerated as an ophthalmic NSAID, with common side effects including ocular irritation and delayed wound healing.
|
| Additional Infomation |
Nepafenac is a unique nonsteroidal prodrug with potential utility in the treatment of trauma-induced ocular inflammation. It is approved for clinical use as an ophthalmic suspension for the treatment of postoperative inflammation and pain in cataract surgery patients. Nepafenac D5 is exclusively used as an analytical internal standard.
|
| Molecular Formula |
C15H9D5N2O2
|
|---|---|
| Molecular Weight |
259.3147
|
| Exact Mass |
259.137
|
| CAS # |
1246814-53-8
|
| Related CAS # |
Nepafenac;78281-72-8
|
| PubChem CID |
71750946
|
| Appearance |
Light yellow to yellow solid powder
|
| LogP |
2.809
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
19
|
| Complexity |
337
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
[2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)C2=CC=CC(=C2N)CC(=O)N)[2H])[2H]
|
| InChi Key |
QEFAQIPZVLVERP-XFEWCBMOSA-N
|
| InChi Code |
InChI=1S/C15H14N2O2/c16-13(18)9-11-7-4-8-12(14(11)17)15(19)10-5-2-1-3-6-10/h1-8H,9,17H2,(H2,16,18)/i1D,2D,3D,5D,6D
|
| Chemical Name |
2-[2-amino-3-(2,3,4,5,6-pentadeuteriobenzoyl)phenyl]acetamide
|
| 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 (In Vitro) |
DMSO : ≥ 100 mg/mL (~385.64 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.64 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 25.0 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: ≥ 2.5 mg/mL (9.64 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.8564 mL | 19.2819 mL | 38.5639 mL | |
| 5 mM | 0.7713 mL | 3.8564 mL | 7.7128 mL | |
| 10 mM | 0.3856 mL | 1.9282 mL | 3.8564 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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