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| 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.
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| 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.
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| 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.
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| 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.
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| 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.
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| 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.
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| 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.
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| 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
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| Molecular Weight |
164.21
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| Exact Mass |
164.106
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| CAS # |
20980-22-7
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| Related CAS # |
2-(1-Piperazinyl)pyrimidine-d8;1309283-31-5
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| PubChem CID |
88747
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| Appearance |
Colorless to off-white <32°C powder,>34°C liquid
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
328.0±52.0 °C at 760 mmHg
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| Melting Point |
32-34°C
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| Flash Point |
152.1±30.7 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.551
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| Source |
Endogenously produced metabolite
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| LogP |
0.49
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
12
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| Complexity |
127
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1(N2CCNCC2)=NC=CC=N1
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| InChi Key |
MRBFGEHILMYPTF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H12N4/c1-2-10-8(11-3-1)12-6-4-9-5-7-12/h1-3,9H,4-7H2
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| Chemical Name |
2-piperazin-1-ylpyrimidine
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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) |
DMSO: ~100 mg/mL (~609.0 mM; with ultrasonication)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (15.22 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), Clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (15.22 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), Clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. (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.
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