| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg | |||
| Other Sizes |
| Targets |
Nordoxepin-d3 hydrochloride targets the central nervous system's biogenic amine reuptake, specifically norepinephrine and serotonin at synaptic nerve terminals. As the deuterated form of an active metabolite of doxepin, it is used to study the pharmacokinetics and metabolism of doxepin.
|
|---|---|
| ln Vitro |
Nordoxepin-d3 hydrochloride is used as an internal standard in analytical methods for the quantification of nordoxepin. It does not exhibit significant pharmacological activity itself. Its primary use is in research to study the metabolism and pharmacokinetics of doxepin and its active metabolites.
|
| ln Vivo |
Nordoxepin-d3 hydrochloride is the deuterated form of nordoxepin hydrochloride, which is an active metabolite of doxepin hydrochloride. It is used as an internal standard in pharmacokinetic studies to accurately quantify nordoxepin levels in biological samples.
|
| Enzyme Assay |
In vitro assays using nordoxepin-d3 hydrochloride as an internal standard involve spiking the compound into biological samples (plasma, tissue extracts) prior to extraction and LC-MS/MS analysis. The deuterated compound is used to correct for matrix effects and ionization efficiency variations. Calibration curves are prepared using known concentrations of unlabeled nordoxepin.
|
| Cell Assay |
For in vitro cell assays, nordoxepin-d3 hydrochloride is not typically used as a treatment. It is used as an internal standard for the quantification of nordoxepin in cell culture supernatants or lysates. Cells are treated with doxepin or nordoxepin, and the deuterated compound is added to samples for accurate quantification by LC-MS.
|
| Animal Protocol |
For in vivo animal studies, nordoxepin-d3 hydrochloride is used as an internal standard for the quantification of nordoxepin in pharmacokinetic studies. Animals are administered doxepin, and blood and tissue samples are collected. The deuterated compound is spiked into samples prior to LC-MS analysis to accurately measure nordoxepin levels.
|
| ADME/Pharmacokinetics |
Nordoxepin-d3 hydrochloride has the molecular formula C₁₉H₁₈D₃NO·HCl. It is the deuterium-labeled form of nordoxepin hydrochloride. The deuterium labeling provides a mass shift for MS detection. The compound is stable under recommended storage conditions. It is soluble in water and organic solvents.
|
| Toxicity/Toxicokinetics |
The compound is for research use only. No specific toxicity data are available. As the deuterated form of an active metabolite, its safety profile is expected to be similar to that of nordoxepin. Standard laboratory safety precautions should be followed when handling this compound.
|
| References | |
| Additional Infomation |
Nordoxepin-d3 hydrochloride (CAS# 1331665-54-3) is the deuterium-labeled form of nordoxepin hydrochloride, an active metabolite of the tricyclic antidepressant doxepin. It has not been approved as a therapeutic agent. The compound is used as an internal standard in pharmacokinetic and metabolic studies of doxepin. It is also known as Desmethyldoxepin-d3 hydrochloride.
|
| Molecular Formula |
C18H16D3NO.HCL
|
|---|---|
| Molecular Weight |
304.829
|
| Exact Mass |
304.142
|
| CAS # |
1331665-54-3
|
| Related CAS # |
Nordoxepin hydrochloride;2887-91-4
|
| PubChem CID |
71751180
|
| Appearance |
White to off-white solid powder
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
21
|
| Complexity |
338
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O1C2C=CC=CC=2/C(=C/CCNC([2H])([2H])[2H])/C2C=CC=CC=2C1.Cl
|
| InChi Key |
GNPPEZGJRSOKRE-KJVDRLPBSA-N
|
| InChi Code |
InChI=1S/C18H19NO.ClH/c1-19-12-6-10-16-15-8-3-2-7-14(15)13-20-18-11-5-4-9-17(16)18;/h2-5,7-11,19H,6,12-13H2,1H3;1H/b16-10+;/i1D3;
|
| Chemical Name |
(3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-(trideuteriomethyl)propan-1-amine;hydrochloride
|
| 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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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) |
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
|
|---|---|
| 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 | 3.2805 mL | 16.4026 mL | 32.8052 mL | |
| 5 mM | 0.6561 mL | 3.2805 mL | 6.5610 mL | |
| 10 mM | 0.3281 mL | 1.6403 mL | 3.2805 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
