| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
alpha2-adrenergic receptor (antagonist, IC50=0.6 microM)
|
|---|---|
| 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].
No specific in vitro assays for the labeled form are provided. The non-deuterated parent Yohimbine is a potent and relatively nonselective alpha2-adrenergic receptor antagonist with an IC50 of 0.6 microM. It binds selectively to alpha2 receptors over alpha1 receptors and has been used to study adrenergic receptor function and neurotransmitter release. |
| ln Vivo |
Cellular activity data for the labeled form are not specifically reported. The non-deuterated Yohimbine blocks alpha2-adrenergic receptors on presynaptic nerve terminals, preventing the negative feedback inhibition of norepinephrine release. This leads to increased sympathetic outflow, elevated blood pressure, and enhanced norepinephrine and epinephrine levels.
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| Enzyme Assay |
Radioligand binding assays for alpha2-adrenergic receptors are performed using membrane preparations from rat brain cortex or transfected cells expressing human alpha2 receptors. [3H]-RX821002 or [3H]-rauwolscine is used as the radioligand. Test compound is incubated with membranes at varying concentrations for 30-60 min at 25degC. Bound radioligand is separated by filtration and counted by scintillation. Ki values are calculated from competition curves; Yohimbine shows an IC50 of 0.6 microM for alpha2 receptors.
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| Cell Assay |
Cell-based functional assays for alpha2-adrenergic antagonism use CHO or HEK-293 cells expressing human alpha2A receptors with a cAMP response element reporter. Cells are treated with serial dilutions of Yohimbine-13C,d3 (or non-deuterated reference) in the presence of an alpha2 agonist (e.g., clonidine or UK14,304). Antagonist activity is measured by quantifying reversal of agonist-mediated inhibition of forskolin-stimulated cAMP accumulation via HTRF or ELISA.
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| Animal Protocol |
In vivo animal studies with Yohimbine-13C,d3 are not typically performed as it is primarily an analytical internal standard. Pharmacokinetic studies using the labeled compound as a tracer involve oral or intravenous administration to rats or dogs, followed by blood and tissue collection at multiple time points. LC-MS/MS analysis quantifies the labeled compound to determine absorption, distribution, metabolism and excretion.
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| ADME/Pharmacokinetics |
The labeled form is designed as an analytical internal standard for LC-MS/MS quantification of Yohimbine in biological matrices. It exhibits identical chromatographic retention time as the non-deuterated compound but a distinct mass due to one 13C atom and three deuterium atoms. This allows precise and accurate quantification without isotopic interference for pharmacokinetic studies and bioanalytical assays.
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| Toxicity/Toxicokinetics |
As an analytical standard, Yohimbine-13C,d3 is not intended for therapeutic use and thus toxicology studies are not performed on the labeled compound. The non-deuterated Yohimbine has an established safety profile as a prescription drug for erectile dysfunction and as a research tool, with side effects including anxiety, hypertension, tachycardia, and gastrointestinal distress.
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| References |
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| Additional Infomation |
Yohimbine-13C,d3 is a stable isotope-labeled internal standard used exclusively for research and bioanalytical applications. The parent drug Yohimbine is an indole alkaloid derived from the bark of the Pausinystalia yohimbe tree. The dual-labeled (13C and deuterium) version provides enhanced mass distinction for accurate quantitation in pharmacokinetic studies and therapeutic drug monitoring.
|
| Molecular Formula |
C21H26N2O3
|
|---|---|
| Molecular Weight |
358.453885555267
|
| Exact Mass |
358.216
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| CAS # |
1261254-59-4
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| Related CAS # |
Yohimbine;146-48-5;Yohimbine-d3;133146-00-6
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| PubChem CID |
117064553
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| Appearance |
White to off-white solid powder
|
| LogP |
2.9
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
26
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| Complexity |
555
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| Defined Atom Stereocenter Count |
5
|
| SMILES |
N1([2H])C2=C(C=CC=C2)C2=[13C]1[C@]1([2H])C[C@H]3[C@@H](CC[C@@H]([C@@H]3C(OC)=O)O)CN1C([2H])C2
|
| InChi Key |
BLGXFZZNTVWLAY-BRIZNRDQSA-N
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| InChi Code |
InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1/i1+1D3
|
| Chemical Name |
trideuterio(113C)methyl (1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
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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 | 2.7898 mL | 13.9489 mL | 27.8979 mL | |
| 5 mM | 0.5580 mL | 2.7898 mL | 5.5796 mL | |
| 10 mM | 0.2790 mL | 1.3949 mL | 2.7898 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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