| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Pyrimidine is an endogenous metabolite and the parent compound of pyrimidine derivatives. As a nitrogen-containing heterocyclic compound, it serves as a building block for various biologically active molecules. Pyrimidine derivatives have been used in pancreatic cancer, triple-negative breast cancer, colon carcinoma, and neuron research. The compound's derivatives also have anti-inflammatory activity, which may be due to their ability to inhibit prostaglandin E2 (PGE2) levels.
|
|---|---|
| ln Vitro |
In vitro, pyrimidine derivatives have been studied for their biological activities, including anti-inflammatory and anticancer effects. The compound is used as a building block for the synthesis of various biologically active molecules. Its derivatives have been shown to inhibit 15-lipoxygenase and reduce the release of leukotrienes. The compound's effects on cellular metabolism and signaling pathways have been characterized in various cell models.
|
| ln Vivo |
In vivo, pyrimidine is an endogenous metabolite and is involved in various metabolic pathways. Pyrimidine derivatives are important for various metabolic disorders such as diabetes mellitus type 2 (DM2). The compound's role in nucleic acid metabolism makes it essential for cellular function. Studies have examined its effects in models of metabolic disease and inflammation.
|
| Enzyme Assay |
In cell-free biochemical assays, pyrimidine is characterized for its chemical properties and role as a building block for biologically active molecules. Its purity and molecular weight (80.09 g/mol) are determined using analytical techniques. Its derivatives are evaluated for their inhibitory activity against 15-lipoxygenase and other enzymes.
|
| Cell Assay |
Cellular assays for pyrimidine involve evaluating its effects on cell metabolism and signaling. Pyrimidine derivatives are tested for their anti-inflammatory and anticancer activities in various cell lines. Their ability to inhibit prostaglandin E2 production is assessed. The compound's effects on nucleic acid metabolism are studied in relevant cell models.
|
| Animal Protocol |
Animal models for pyrimidine derivatives include models of cancer, inflammation, and metabolic disease. The compounds are typically administered orally or via injection. Studies have examined their effects on tumor growth, inflammatory markers, and metabolic parameters. Their antiviral activity has been evaluated in models of HIV and HSV infection.
|
| ADME/Pharmacokinetics |
Pharmacokinetic data for pyrimidine show that the compound has a molecular weight of 80.09 g/mol with a molecular formula of C4H4N2. The CAS number is 289-95-2. The compound is a liquid above 22°C. Standard handling procedures for heterocyclic compounds apply.
|
| Toxicity/Toxicokinetics |
The toxicity profile of pyrimidine is typical of heterocyclic compounds. Standard safety precautions for handling laboratory chemicals apply. The compound is for research use only and not for human use. Appropriate handling procedures should be followed to minimize exposure.
|
| Additional Infomation |
Pyrimidine is the parent compound of pyrimidine compounds; it is a diazine compound with two nitrogen atoms located at positions 1 and 3, respectively. It is a metabolite of the large flea (Daphnia magna). It belongs to both the pyrimidine and diazine classes. Pyrimidine is a metabolite found or produced in Escherichia coli (strains K12 and MG1655). Pyrimidine has been reported to exist in humans, ginseng, and other organisms with relevant data. Pyrimidine is one of two classes of heterocyclic nitrogenous bases found in nucleic acids DNA and RNA: in DNA, pyrimidine is cytosine and thymine; in RNA, uracil replaces thymine. Pyrimidine dimers are formed by the covalent linkage of a pair of pyrimidine bases (thymine or cytosine in DNA, or uracil in double-stranded RNA) through a cyclobutane ring, and their formation is induced by ultraviolet radiation. The presence of pyrimidine dimers inhibits DNA replication. Improper repair of these damages can promote DNA mutations. See also: thymine (with subclasses); uracil (with subclasses); cytosine (with subclasses).
Pyrimidine is a heterocyclic aromatic compound and endogenous metabolite with a molecular weight of 80.09 g/mol and formula C4H4N2. Its derivatives are used in antiviral research and as 15-lipoxygenase inhibitors. The CAS number is 289-95-2. |
| Molecular Formula |
C4H4N2
|
|---|---|
| Molecular Weight |
80.0880
|
| Exact Mass |
80.037
|
| CAS # |
289-95-2
|
| Related CAS # |
190201-51-5
|
| PubChem CID |
9260
|
| Appearance |
Colorless to light yellow <22°C powder,>22°C liquid
|
| Density |
1.1±0.1 g/cm3
|
| Boiling Point |
122.4±9.0 °C at 760 mmHg
|
| Melting Point |
19-22 °C(lit.)
|
| Flash Point |
31.1±0.0 °C
|
| Vapour Pressure |
16.8±0.2 mmHg at 25°C
|
| Index of Refraction |
1.503
|
| LogP |
-0.33
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
0
|
| Heavy Atom Count |
6
|
| Complexity |
32.5
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
N1C([H])=NC([H])=C([H])C=1[H]
|
| InChi Key |
CZPWVGJYEJSRLH-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H
|
| Chemical Name |
pyrimidine
|
| 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) |
DMSO : ~100 mg/mL (~1248.60 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (31.21 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to 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 (31.21 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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (31.21 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 12.4860 mL | 62.4298 mL | 124.8595 mL | |
| 5 mM | 2.4972 mL | 12.4860 mL | 24.9719 mL | |
| 10 mM | 1.2486 mL | 6.2430 mL | 12.4860 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.
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT04802707 | RECRUITING | Combination Product: deoxycytidine and deoxythymidine | Mitochondrial DNA Depletion Mitochondrial Diseases Mitochondrial Encephalomyopathy Mitochondrial Encephalopathy Mitochondrial Metabolism Disorders |
McGill University HealthCentre /Research Institute of the McGill University Health Centre |
2021-10-18 | Phase 2 |
| NCT03532633 | UNKNOWN STATUS | Procedure: cord blood Procedure: blood sample infant Procedure: blood sample mother Procedure: breast milk |
Prematurity | University Hospital Tuebingen | 2017-03-01 | |
| NCT03982680 | UNKNOWN STATUS | Drug: Toripalimab Drug: Gemcitabine Drug: 5- fluorine pyrimidine |
Advanced Cholangiocarcinoma | Jiangmen Central Hospital | 2019-07-13 | Phase 2 |
| NCT05007678 | COMPLETED | Drug: leflunomide | COVID-19 | Ashford and St. Peter's Hospitals NHS Trust | 2020-09-16 | Phase 3 |
| NCT01291407 | COMPLETED | Drug: S-1 Drug: S-1 Drug: S-1 |
Gastric Cancer Gastrointestinal Neoplasms |
Chinese Academy of Medical Sciences | 2010-11 | Phase 1 |
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
