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| Targets |
D-(+)-Neopterin does not have a specific molecular target in the context of drug development. It is an endogenous metabolite that serves as a biomarker of immune activation and oxidative stress. Neopterin is produced by human monocytes/macrophages upon stimulation with IFN-γ and is a breakdown product of GTP. It is used as a marker of T helper cell-induced immune activation and as an indicator of oxidative stress, modulating the effects of reactive oxygen species.
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| ln Vitro |
In vitro, neopterin is used as a biomarker to assess immune activation and oxidative stress in cell culture systems. Its production by monocytes/macrophages in response to IFN-γ stimulation can be measured in cell supernatants. Neopterin levels correlate with the degree of immune activation and can be used to monitor the effects of immunomodulatory compounds. The compound itself does not exhibit pharmacological activity in standard in vitro assays but serves as a diagnostic marker.
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| ln Vivo |
In vivo, neopterin is used as a clinical biomarker to monitor immune activation and disease progression in various conditions, including infections, autoimmune diseases, and cancer. Elevated neopterin levels in serum or urine indicate activation of the cellular immune system. Neopterin levels are measured in clinical practice to assess disease activity and response to therapy. The compound itself is not used as a therapeutic agent but serves as a valuable diagnostic marker.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays are not applicable to neopterin because it is a biomarker rather than a drug candidate. However, the compound may be quantified using analytical methods such as HPLC, LC-MS/MS, or ELISA for research and diagnostic purposes. These assays measure neopterin levels in biological samples (e.g., serum, urine, cell culture supernatants) to assess immune activation and oxidative stress.
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| Cell Assay |
In vitro cellular assays for neopterin are performed using monocytes or macrophages stimulated with IFN-γ to induce neopterin production. Cells are treated with various compounds to assess their effects on neopterin production, which serves as a readout of immune activation. Neopterin levels in the culture supernatant are measured by ELISA or HPLC. These assays are used to evaluate the immunomodulatory effects of test compounds.
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| Animal Protocol |
In vivo animal experiments for neopterin are limited because neopterin is primarily a human biomarker. However, animal models may be used to study the relationship between immune activation and neopterin production. In these studies, animals are treated with immunostimulatory agents (e.g., IFN-γ or Toll-like receptor agonists), and neopterin levels in serum or urine are measured. The compound's utility as a biomarker for immune activation can be validated in these models.
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| ADME/Pharmacokinetics |
D-(+)-Neopterin has a molecular weight of 253.22 g/mol and a molecular formula of C9H11N5O4. The compound is a precursor in the biosynthesis of biopterin. It is a light orange to light brown solid and should be stored at 2-8°C. Detailed pharmacokinetic properties are not relevant because neopterin is an endogenous metabolite rather than a drug. Neopterin is excreted in the urine, and its levels reflect systemic immune activation.
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| Toxicity/Toxicokinetics |
Neopterin is an endogenous metabolite and is not associated with toxicity at physiological concentrations. Elevated neopterin levels indicate immune activation and are not themselves harmful, although they may reflect underlying disease activity. As a diagnostic marker, neopterin is safe and does not cause adverse effects. The compound is not used therapeutically, so toxicology studies are not applicable.
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| References | |
| Additional Infomation |
Neopterin is being investigated in the clinical trial NCT02974192 (Effects of Neopterin on Ischemic Stroke). Neopterin has been reported to be present in Streptomycetes and Rhodotorula fusiforme, with relevant data available. Neopterin is a pterin, a metabolite of guanine triphosphate (GTP), and a precursor to biopterin. Neopterin is released by macrophages and dendritic cells (DCs) stimulated by interferon-γ (IFN-γ); therefore, neopterin levels in urine or serum can serve as a marker of immune system activation. Neopterin is a pterin derivative present in body fluids; its levels can be elevated by immune system activation, malignant tumors, allogeneic transplant rejection, and viral infections. (From Stedman, 26th edition) Neopterin is also a precursor to biopterin biosynthesis.
D-(+)-Neopterin is a naturally occurring pteridine compound that is synthesized by monocytes/macrophages upon stimulation with IFN-γ. It is a breakdown product of GTP and is used as a marker of activation of the cellular immune system. Neopterin is also an indicator of oxidative stress and modulates the effects of ROS. It is a precursor in the biosynthesis of biopterin. Neopterin is a diagnostic biomarker and is not used as a therapeutic agent. |
| Molecular Formula |
C9H11N5O4
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|---|---|
| Molecular Weight |
253.21474
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| Exact Mass |
253.081
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| CAS # |
2009-64-5
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| PubChem CID |
135398721
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| Appearance |
White to off-white solid powder
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| Density |
2.0±0.1 g/cm3
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| Boiling Point |
697.7ºC at 760mmHg
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| Melting Point |
>232ºC (dec.)
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| Flash Point |
375.7ºC
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| Index of Refraction |
1.860
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| LogP |
-4.57
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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 |
3
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| Heavy Atom Count |
18
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| Complexity |
363
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| Defined Atom Stereocenter Count |
2
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| SMILES |
C1=C(N=C2C(=O)NC(=NC2=N1)N)[C@@H]([C@@H](CO)O)O
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| InChi Key |
BMQYVXCPAOLZOK-XINAWCOVSA-N
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| InChi Code |
InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)/t4-,6+/m1/s1
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| Chemical Name |
2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-3H-pteridin-4-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 |
| 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 : ~6.25 mg/mL (~24.68 mM)
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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 | 3.9493 mL | 19.7465 mL | 39.4929 mL | |
| 5 mM | 0.7899 mL | 3.9493 mL | 7.8986 mL | |
| 10 mM | 0.3949 mL | 1.9746 mL | 3.9493 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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