| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
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| Other Sizes |
| Targets |
The primary target of Oncopterin is dihydrofolate reductase (DHFR). It acts as a nonclassical inhibitor of DHFR. DHFR is an enzyme involved in folate metabolism, and its inhibition disrupts DNA synthesis and cell proliferation. By inhibiting DHFR, Oncopterin may have antitumor activity.
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|---|---|
| ln Vitro |
In vitro, Oncopterin inhibits DHFR. Unlike methotrexate, it bypasses polyglutamation and folate transport, which may allow for more direct comparisons of efficacy in preclinical studies. Its inhibitory activity is typically measured using DHFR enzyme assays that monitor the reduction of dihydrofolate to tetrahydrofolate.
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| ln Vivo |
In vivo, Oncopterin is found in the urine of patients with solid and blood cancers, suggesting it is a potential cancer biomarker. Its presence in urine may reflect altered folate metabolism in cancer patients. Its potential as a therapeutic agent is being investigated.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for Oncopterin involve DHFR inhibition assays using purified DHFR enzyme. The compound's inhibitory activity is measured by monitoring the reduction of dihydrofolate to tetrahydrofolate in the presence of NADPH. IC50 values are determined from dose-response curves. Its selectivity for DHFR over other folate pathway enzymes can be assessed.
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| Cell Assay |
In vitro cellular assays for Oncopterin are conducted in cancer cell lines. Cells are treated with the compound, and cell proliferation is measured using MTT or similar assays. Its effects on folate metabolism and DHFR activity in cells are assessed by measuring intracellular folate levels or DHFR activity.
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| Animal Protocol |
In vivo animal studies for Oncopterin are not extensively documented. As a cancer biomarker and potential therapeutic, it may be studied in animal models of cancer. Its levels in urine could be monitored as a biomarker of tumor response.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Oncopterin indicate it has a molecular weight of 294.31 and a molecular formula of C12H18N6O3. It is an endogenous compound found in human urine. Its pharmacokinetics may be similar to other pterin compounds. The compound is typically stored as a powder at -20°C for up to 3 years.
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| Toxicity/Toxicokinetics |
Toxicological information for Oncopterin is limited. As an endogenous compound, it may have a different safety profile compared to synthetic DHFR inhibitors. Comprehensive toxicology studies would be required for its use as a therapeutic agent.
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| Additional Infomation |
Found in the urine of patients with solid tumors and hematologic malignancies; structure described in the first article.
Oncopterin is an endogenous nonclassical DHFR inhibitor and a cancer biomarker found in the urine of cancer patients. It is also known as N²-(3-aminopropyl)biopterin. It bypasses polyglutamation and folate transport, unlike methotrexate. It is available from research chemical suppliers for research applications. It is not approved for clinical use. |
| Molecular Formula |
C12H18N6O3
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|---|---|
| Molecular Weight |
294.309721469879
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| Exact Mass |
294.144
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| Elemental Analysis |
C, 48.97; H, 6.16; N, 28.56; O, 16.31
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| CAS # |
143460-23-5
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| PubChem CID |
135494248
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| Appearance |
Solid powder
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| Density |
1.63g/cm3
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| Boiling Point |
594.5ºC at 760 mmHg
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| Flash Point |
313.3ºC
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| Vapour Pressure |
5.6E-15mmHg at 25°C
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| Index of Refraction |
1.735
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| LogP |
-2.1
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| Hydrogen Bond Donor Count |
5
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
21
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| Complexity |
405
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| Defined Atom Stereocenter Count |
2
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| SMILES |
O[C@H](C1C=NC2=C(C(NC(=N2)NCCCN)=O)N=1)[C@H](C)O
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| InChi Key |
BBFMPNKVCFIPPX-RCOVLWMOSA-N
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| InChi Code |
InChI=1S/C12H18N6O3/c1-6(19)9(20)7-5-15-10-8(16-7)11(21)18-12(17-10)14-4-2-3-13/h5-6,9,19-20H,2-4,13H2,1H3,(H2,14,15,17,18,21)/t6-,9-/m0/s1
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| Chemical Name |
2-(3-aminopropylamino)-6-[(1R,2S)-1,2-dihydroxypropyl]-3H-pteridin-4-one
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| Synonyms |
Oncopterin
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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 | 3.3978 mL | 16.9889 mL | 33.9778 mL | |
| 5 mM | 0.6796 mL | 3.3978 mL | 6.7956 mL | |
| 10 mM | 0.3398 mL | 1.6989 mL | 3.3978 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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