| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| Other Sizes |
| Targets |
Diphenhydramine-d6 hydrochloride is used as an internal standard for the quantification of diphenhydramine. It does not have a distinct pharmacological target separate from the unlabeled compound.
|
|---|---|
| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
Diphenhydramine, the unlabeled form, is a first-generation H1 receptor antagonist with anticholinergic effects. The deuterated form, Diphenhydramine-d6 hydrochloride, is expected to exhibit identical pharmacological properties due to the minimal isotopic effect of deuterium substitution. |
| ln Vivo |
Diphenhydramine-d6 hydrochloride is not used as a pharmacologically active compound in vivo. It is used as an internal standard in pharmacokinetic studies to accurately measure the concentration of diphenhydramine in biological samples.
|
| Enzyme Assay |
In vitro assays for Diphenhydramine-d6 hydrochloride typically involve its use as an internal standard in analytical methods such as GC-MS or LC-MS. The compound is added to samples prior to extraction and analysis, and the ratio of the labeled to unlabeled compound is used to calculate the concentration of diphenhydramine.
|
| Cell Assay |
Diphenhydramine-d6 hydrochloride is used as an internal standard in cell-based assays and other in vitro experiments for the quantification of diphenhydramine. The compound is added to cell culture media or cell lysates, and the concentration of diphenhydramine is measured by mass spectrometry.
|
| Animal Protocol |
Diphenhydramine-d6 hydrochloride is used as an internal standard in in vivo pharmacokinetic studies in animals. The compound is administered to animals, and blood, tissues, and urine are collected at various time points and analyzed by mass spectrometry to quantify diphenhydramine levels.
|
| ADME/Pharmacokinetics |
Diphenhydramine-d6 hydrochloride is used as an internal standard for the quantification of diphenhydramine in biological matrices using GC-MS or LC-MS. As a deuterated compound, it exhibits practically identical chemical properties to unlabeled diphenhydramine, making it an ideal internal standard. Its use improves the accuracy and precision of analytical methods.
|
| Toxicity/Toxicokinetics |
No specific toxicity data are publicly available for Diphenhydramine-d6 hydrochloride. As a deuterated form of diphenhydramine, its toxicity profile is expected to be similar to that of unlabeled diphenhydramine. Diphenhydramine is generally well-tolerated, but common side effects include drowsiness, dry mouth, and dizziness.
|
| References |
[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216.
[2]. Simons FE. H1-receptor antagonists. Comparative tolerability and safety. Drug Saf. 1994;10(5):350-380. [3]. Sadiq MW, et al. Diphenhydramine active uptake at the blood-brain barrier and its interaction with oxycodone in vitro and in vivo. J Pharm Sci. 2011;100(9):3912-3923. |
| Additional Infomation |
Diphenhydramine-d6 hydrochloride is a deuterium-labeled form of diphenhydramine hydrochloride, a first-generation H1 receptor antagonist. It is intended for use as an internal standard for the quantification of diphenhydramine by GC-MS or LC-MS. The compound is not a therapeutic agent and is strictly for research purposes.
|
| Molecular Formula |
C17H22CLNO
|
|---|---|
| Molecular Weight |
297.852653980255
|
| Exact Mass |
297.176
|
| CAS # |
1189986-72-8
|
| Related CAS # |
Diphenhydramine hydrochloride;147-24-0
|
| PubChem CID |
46781390
|
| Appearance |
White to off-white solid powder
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
20
|
| Complexity |
211
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
N(C([2H])([2H])[2H])(C([2H])([2H])[2H])CCOC(C1=CC=CC=C1)C1=CC=CC=C1.[H]Cl
|
| InChi Key |
PCHPORCSPXIHLZ-TXHXQZCNSA-N
|
| InChi Code |
InChI=1S/C17H21NO.ClH/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12,17H,13-14H2,1-2H3;1H/i1D3,2D3;
|
| Chemical Name |
2-benzhydryloxy-N,N-bis(trideuteriomethyl)ethanamine;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 (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 | 3.3574 mL | 16.7870 mL | 33.5739 mL | |
| 5 mM | 0.6715 mL | 3.3574 mL | 6.7148 mL | |
| 10 mM | 0.3357 mL | 1.6787 mL | 3.3574 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
