| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg | |||
| Other Sizes |
| Targets |
Serotonin Transporter (SERT), Norepinephrine Transporter (NET), and Histamine H1 Receptor. Doxepin D3 HCl has the same pharmacological profile as unlabeled doxepin: it binds to SERT with a Kd of 68 nM, to NET with a Kd of 29.5 nM, and is a potent histamine H1 receptor antagonist (Ki = 1.23 nM). It has low affinity for the dopamine transporter (DAT, Kd = 12,100 nM). The D3-labeled version is used as an internal standard and is not administered for pharmacological evaluation.
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| ln Vitro |
Doxepin (the parent drug) binds to the serotonin transporter (SERT) with a Kd of 68 nM, to the norepinephrine transporter (NET) with a Kd of 29.5 nM, and is a potent histamine H1 receptor antagonist (Ki = 1.23 nM). Doxepin selectively binds to SERT and NET over the dopamine transporter (DAT, Kd = 12,100 nM). It also inhibits histamine H1 over H2, H3, and H4 receptors (Kis = 170, 39,810, and 15,135 nM, respectively). Doxepin D3 HCl is an internal standard and is not tested in activity assays.
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| ln Vivo |
Not applicable (internal standard for analytical chemistry, not a test article for in vivo pharmacology). Doxepin (parent drug) is a tricyclic antidepressant used for the treatment of depression and insomnia. At low doses (3-6 mg), doxepin acts primarily as a histamine H1 antagonist, promoting sleep maintenance without significant anticholinergic or antidepressant effects. At higher doses (25-150 mg), doxepin exerts its antidepressant effects through SERT and NET inhibition. Doxepin D3 HCl is used as an internal standard in bioanalysis.
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| Enzyme Assay |
Not applicable (internal standard, not used in enzyme/receptor binding studies). The parent drug doxepin has been extensively characterized in radioligand binding assays. For quality control of the deuterated internal standard, the compound is characterized by NMR (to confirm deuteration at the N-methyl position) and LC-MS/MS (to confirm isotopic purity, typically ≥99%). The chemical purity is typically ≥98%, and deuterium incorporation is ≥99%.
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| Cell Assay |
Not applicable (internal standard, not used in cell-based assays). Doxepin D3 HCl is used as an internal standard in LC-MS/MS bioanalysis. For a typical assay, biological samples (plasma, urine, or tissue homogenate) are protein-precipitated with acetonitrile containing Doxepin D3 HCl as the internal standard. The supernatant is injected onto a C18 reversed-phase column with a mobile phase of acetonitrile/water (containing 0.1% formic acid). Doxepin and Doxepin D3 are detected by multiple reaction monitoring (MRM) in positive ion mode.
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| Animal Protocol |
Not applicable (internal standard, not administered as a test article). For pharmacokinetic studies of doxepin, male Sprague-Dawley rats (200-250 g) are dosed orally with doxepin (1-10 mg/kg). Blood samples are collected at pre-dose and at 0.5, 1, 2, 4, 6, 8, 12, and 24 hours post-dose. Plasma is separated, protein-precipitated with acetonitrile containing Doxepin D3 HCl as the internal standard, and analyzed by LC-MS/MS. Pharmacokinetic parameters (Cmax, Tmax, AUC, t½, clearance) are calculated.
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| ADME/Pharmacokinetics |
Doxepin D3 HCl is a stable isotope-labeled internal standard with a mass shift of +3 Da. The parent drug doxepin is a mixture of cis and trans isomers. Doxepin is well absorbed orally (bioavailability ~30-40% due to first-pass metabolism), with a terminal half-life of approximately 8-24 hours (depending on the dose and duration of therapy). It is highly protein bound (>80%) and extensively metabolized by CYP2D6 and CYP3A4 to its primary metabolite, N-desmethyldoxepin.
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| Toxicity/Toxicokinetics |
Doxepin D3 HCl is a certified reference material and is not intended for human consumption. The parent drug doxepin is generally well tolerated. Common adverse effects include dry mouth (anticholinergic), drowsiness/sedation (H1 blockade), dizziness, headache, blurred vision, constipation, and weight gain. Rare but serious side effects include QT prolongation, orthostatic hypotension, and serotonin syndrome. Overdose can be fatal.
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| References | |
| Additional Infomation |
dibenzoxazine heptane tricyclic compound. It possesses various pharmacological effects, including maintaining adrenergic innervation. Its mechanism of action is not fully elucidated, but it appears to block the reuptake of monoamine neurotransmitters to presynaptic terminals. It also exhibits anticholinergic activity and modulates the antagonistic effects of histamine H1 and H2 receptors.
Doxepin D3 HCl (Doxepin-d3 hydrochloride) is a certified reference material (CRM) intended for use as an internal standard for the quantification of doxepin by GC-MS or LC-MS in clinical toxicology, urine drug testing, therapeutic drug monitoring (TDM), and forensic analysis applications. The compound is supplied as a solid or as a 1.0 mg/mL solution in methanol. It is for research and forensic use only. |
| Molecular Formula |
C19H18D3NO.HCL
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|---|---|
| Molecular Weight |
318.856
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| Exact Mass |
318.157
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| CAS # |
347840-07-7
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| Related CAS # |
Doxepin Hydrochloride;1229-29-4;Doxepin;1668-19-5
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| PubChem CID |
14675
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| Appearance |
Off-white to light yellow solid powder
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| Boiling Point |
64.0-65.0 °C at 760 mmHg
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| Melting Point |
162-164ºC
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| Flash Point |
9℃
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| LogP |
4.764
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
22
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| Complexity |
363
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CN(C)CCC=C1C2=CC=CC=C2COC3=CC=CC=C31.Cl
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| InChi Key |
MHNSPTUQQIYJOT-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C19H21NO.ClH/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19;/h3-6,8-12H,7,13-14H2,1-2H3;1H
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| Chemical Name |
3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride
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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 | 3.1362 mL | 15.6809 mL | 31.3617 mL | |
| 5 mM | 0.6272 mL | 3.1362 mL | 6.2723 mL | |
| 10 mM | 0.3136 mL | 1.5681 mL | 3.1362 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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