| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
2-(1-Piperazinyl)pyrimidine is the major metabolite of Tandospirone, an anti-anxiety drug. As a metabolite, it does not have a primary pharmacological target of its own. However, it may interact with adrenergic or serotonergic receptors given the structure of its parent compounds. It is classified as an endogenous metabolite and is primarily used as a research tool to study drug metabolism and pharmacokinetics.
|
|---|---|
| ln Vitro |
In vitro, 2-(1-Piperazinyl)pyrimidine is used as a reference standard and as a tool to study the metabolism of drugs like Tandospirone and Gepirone. It is not typically used for biological activity assays. Its activity, if any, is related to its role as a metabolite. Standard in vitro assays would include analytical chemistry methods like LC-MS/MS to quantify the compound in biological samples, rather than functional cell-based assays.
|
| ln Vivo |
In vivo, 2-(1-Piperazinyl)pyrimidine is a metabolite of Tandospirone and Gepirone. It is not administered for therapeutic purposes. Its primary relevance is in pharmacokinetic studies, where its concentration in plasma and other biological matrices is measured to understand the metabolism and clearance of its parent drugs. It is known to be a human metabolite.
|
| Enzyme Assay |
For non-cell-based assays, 2-(1-Piperazinyl)pyrimidine is used as an analytical standard. Its identity and purity are confirmed using techniques such as NMR, HPLC, and mass spectrometry. It is not used in receptor binding assays. Its role is to serve as a reference standard for the quantification of this metabolite in biological samples, supporting pharmacokinetic and bioequivalence studies.
|
| Cell Assay |
For in vitro cellular assays, 2-(1-Piperazinyl)pyrimidine is not typically used. It may be used in cell culture media as a part of sample preparation for LC-MS/MS analysis to quantify the metabolite in studies of drug uptake or metabolism. The compound is added to biological samples at a known concentration to serve as a reference standard.
|
| Animal Protocol |
For in vivo animal studies, 2-(1-Piperazinyl)pyrimidine is used as an analytical standard for the quantification of Tandospirone and Gepirone metabolites in pharmacokinetic studies. Blood or tissue samples collected from animals dosed with the parent drug are analyzed by LC-MS/MS, with the compound serving as a reference for identification and quantification.
|
| ADME/Pharmacokinetics |
Metabolism / Metabolites
Known metabolites of 2-(1-piperazinyl)pyrimidine include 2-(piperazin-1-yl)pyrimidine-5-ol. 2-(1-piperazinyl)pyrimidine is a known metabolite of gipperone. 2-(1-Piperazinyl)pyrimidine has a molecular weight of 164.21 and a molecular formula of C8H12N4. It is a white solid. The compound is soluble in DMSO (45 mg/mL). It should be stored at -20°C for long-term stability. It is for research use only and is not intended for human consumption. |
| Toxicity/Toxicokinetics |
The toxicity profile of 2-(1-Piperazinyl)pyrimidine has not been extensively reported. As a metabolite, its toxicity is typically assessed as part of the safety evaluation of its parent drugs. The compound is for research use only and is not intended for human consumption. Standard safety precautions should be observed when handling the compound.
|
| References | |
| Additional Infomation |
1-(2-pyrimidinyl)piperazine is an N-arylpiperazine.
2-(1-Piperazinyl)pyrimidine (CAS 20980-22-7) is a heterocyclic organic compound featuring a pyrimidine ring substituted at the 2-position with a piperazine moiety. It is the major metabolite of Tandospirone and a metabolite of Gepirone. It is used as an analytical reference standard and in research on drug metabolism. It is available for research purposes only. |
| Molecular Formula |
C8H12N4
|
|---|---|
| Molecular Weight |
164.21
|
| Exact Mass |
164.106
|
| CAS # |
20980-22-7
|
| Related CAS # |
2-(1-Piperazinyl)pyrimidine-d8;1309283-31-5
|
| PubChem CID |
88747
|
| Appearance |
Colorless to off-white <32°C powder,>34°C liquid
|
| Density |
1.1±0.1 g/cm3
|
| Boiling Point |
328.0±52.0 °C at 760 mmHg
|
| Melting Point |
32-34°C
|
| Flash Point |
152.1±30.7 °C
|
| Vapour Pressure |
0.0±0.7 mmHg at 25°C
|
| Index of Refraction |
1.551
|
| LogP |
0.49
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
12
|
| Complexity |
127
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1(N2CCNCC2)=NC=CC=N1
|
| InChi Key |
MRBFGEHILMYPTF-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C8H12N4/c1-2-10-8(11-3-1)12-6-4-9-5-7-12/h1-3,9H,4-7H2
|
| Chemical Name |
2-piperazin-1-ylpyrimidine
|
| 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 |
| 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 | 6.0898 mL | 30.4488 mL | 60.8976 mL | |
| 5 mM | 1.2180 mL | 6.0898 mL | 12.1795 mL | |
| 10 mM | 0.6090 mL | 3.0449 mL | 6.0898 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
