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| 1mg |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
CD80-IN-3 targets the CD80 (B7-1) protein, a key costimulatory receptor that regulates T cell activation via binding to CD28 and CTLA-4. By inhibiting the CD80/CD28 interaction, the compound disrupts the co-stimulatory signaling required for T cell activation and the subsequent immune response.
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| ln Vitro |
In vitro, CD80-IN-3 is a potent inhibitor of the CD80/CD28 interaction. It has an EC50 of 630 nM and a Kd of 125 nM for this interaction. Its activity is confirmed in biochemical and cellular assays, demonstrating its ability to disrupt T cell co-stimulation.
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| ln Vivo |
In vivo, CD80-IN-3 has potential therapeutic applications in modulating immune responses, such as in autoimmune diseases or transplant rejection. By blocking the CD80/CD28 interaction, it could reduce aberrant T cell activation. Its in vivo efficacy would need to be confirmed in appropriate animal models.
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| Enzyme Assay |
Non-cellular assays for CD80-IN-3 involve measuring its binding affinity to the CD80 protein. Surface plasmon resonance (SPR) or ELISA-based binding assays are used to determine the Kd (125 nM). A competitive binding assay can also be used, where the compound's ability to displace a labeled CD28 or an antibody from CD80 is measured.
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| Cell Assay |
In vitro cellular assays for CD80-IN-3 are conducted to assess its effects on T cell activation. T cells are stimulated with CD80-expressing antigen-presenting cells in the presence of the compound. T cell activation is measured by assessing proliferation (e.g., via [3H]-thymidine incorporation), cytokine production (e.g., IL-2), and expression of activation markers (e.g., CD25) by flow cytometry.
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| Animal Protocol |
In vivo animal experiments with CD80-IN-3 are conducted in models of autoimmune diseases or transplant rejection. The compound is administered, and its effects on T cell activation, inflammatory cytokine levels, and disease severity are assessed. Its ability to prolong graft survival in transplant models can also be evaluated.
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| ADME/Pharmacokinetics |
CD80-IN-3 has a molecular weight of 323.28. It is soluble in DMSO and is typically stored as a powder at -20°C. Its pharmacokinetic properties, such as oral bioavailability and half-life, would need to be characterized for in vivo use.
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| Toxicity/Toxicokinetics |
CD80-IN-3 is considered to have low toxicity based on its use as a research compound. However, comprehensive toxicological data are not extensively published. The compound is intended for research use only and is not approved for human therapeutic use.
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| References | |
| Additional Infomation |
CD80-IN-3 is a potent inhibitor of the CD80/CD28 interaction (EC50 = 630 nM, Kd = 125 nM). It disrupts T cell co-stimulation and has potential applications in autoimmune diseases and transplant rejection. It is a valuable tool for studying T cell-mediated immune responses.
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| Molecular Formula |
C₁₇H₁₀FN₃O₃
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|---|---|
| Molecular Weight |
323.28
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| Exact Mass |
323.071
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| CAS # |
486449-65-4
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| PubChem CID |
644103
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| Appearance |
Light brown to yellow solid powder
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| Density |
1.536g/cm3
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| Boiling Point |
594.3ºC at 760 mmHg
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| Flash Point |
313.2ºC
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| Index of Refraction |
1.725
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| LogP |
2.704
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
24
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| Complexity |
523
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
NLGJRBLPUVEYKC-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H10FN3O3/c18-13-3-1-2-11-14-12(8-19-15(11)13)16(22)21(20-14)10-6-4-9(5-7-10)17(23)24/h1-8,20H,(H,23,24)
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| Chemical Name |
4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acid
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| Synonyms |
CD80IN3 CD80 IN 3
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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 : ~35.71 mg/mL (~110.46 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 | 3.0933 mL | 15.4665 mL | 30.9329 mL | |
| 5 mM | 0.6187 mL | 3.0933 mL | 6.1866 mL | |
| 10 mM | 0.3093 mL | 1.5466 mL | 3.0933 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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