| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 100mg | |||
| 250mg | |||
| Other Sizes |
| Targets |
Nicotine metabolic pathways. As a metabolite of nicotine, hydroxycotinine is formed through cytochrome P450-mediated oxidation. It does not have significant pharmacological activity itself but is used as a biomarker for nicotine exposure and metabolism.
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|---|---|
| ln Vitro |
Hydroxycotinine itself does not have significant pharmacological activity. It is a metabolite of nicotine and is used as a biomarker for nicotine exposure. Its primary utility is in analytical chemistry for monitoring nicotine metabolism and tobacco smoke exposure.
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| ln Vivo |
No specific in vivo activity data is available for Hydroxycotinine beyond its role as a nicotine metabolite. It is formed in vivo following nicotine administration and is excreted in urine. Its levels in biological fluids are used as biomarkers of nicotine exposure.
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| Enzyme Assay |
In vitro assays for Hydroxycotinine typically involve analytical chemistry methods for its detection and quantification in biological samples such as urine, plasma, or saliva. LC-MS/MS or GC-MS methods are commonly used. The compound is used as a reference standard in analytical method development and as a biomarker in smoking cessation studies.
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| Cell Assay |
The in vitro cellular activity of Hydroxycotinine is not typically studied, as it is a metabolite rather than a pharmacologically active compound. It may be used in cell-based assays to study nicotine metabolism or as a reference compound in analytical method development. Its effects on cells, if any, are not well characterized.
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| Animal Protocol |
In vivo animal studies with Hydroxycotinine typically involve administration of nicotine to animal models, followed by measurement of hydroxycotinine levels in plasma, urine, or tissues as part of pharmacokinetic or toxicokinetic analyses. The compound is used as a biomarker to assess nicotine metabolism and exposure.
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| ADME/Pharmacokinetics |
Hydroxycotinine is a nicotine metabolite formed in the liver by oxidation. Molecular formula: C10H12N2O2, molecular weight: 192.21. The compound is excreted in urine and is commonly found in the urine of smokers. It is used as a biomarker of nicotine exposure.
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| Toxicity/Toxicokinetics |
No specific toxicological data is available for Hydroxycotinine. As a nicotine metabolite, it is generally considered non-toxic compared to nicotine itself. However, its presence in biological fluids indicates nicotine exposure, which is associated with various health risks.
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| Additional Infomation |
trans-3-hydroxycotinine is an N-alkylpyrrolidine derivative of cotinine with a hydroxyl group substituted at the C-3 position (3R,5S-diastere). It is an N-alkylpyrrolidine belonging to the pyridine class, pyrrolidine alkaloids, and pyrrolidine-2-one class. Its function is related to (-)-cotinine.
Hydroxycotinine (trans-3'-Hydroxycotinine) is a nicotine metabolite formed in the liver by oxidation. It is commonly found in the urine of smokers and is used as a biomarker of nicotine exposure. The compound has molecular formula C10H12N2O2 and molecular weight 192.21. It is not pharmacologically active and is not approved for clinical use. |
| Molecular Formula |
C10H12N2O2
|
|---|---|
| Molecular Weight |
192.21448
|
| Exact Mass |
192.089
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| CAS # |
34834-67-8
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| Related CAS # |
Hydroxycotinine-d3;1311275-10-1
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| PubChem CID |
107963
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
416.5±45.0 °C at 760 mmHg
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| Melting Point |
107-109°C
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| Flash Point |
205.7±28.7 °C
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| Vapour Pressure |
0.0±1.0 mmHg at 25°C
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| Index of Refraction |
1.592
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| LogP |
-1.48
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
14
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| Complexity |
232
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| Defined Atom Stereocenter Count |
2
|
| SMILES |
CN1[C@@H](C[C@H](C1=O)O)C2=CN=CC=C2
|
| InChi Key |
XOKCJXZZNAUIQN-DTWKUNHWSA-N
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| InChi Code |
InChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3/t8-,9+/m0/s1
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| Chemical Name |
(3R,5S)-3-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
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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 Note: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). Please store this product in a sealed and protected environment (e.g. under nitrogen), 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)
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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 | 5.2026 mL | 26.0132 mL | 52.0264 mL | |
| 5 mM | 1.0405 mL | 5.2026 mL | 10.4053 mL | |
| 10 mM | 0.5203 mL | 2.6013 mL | 5.2026 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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