| Size | Price | |
|---|---|---|
| 5mg | ||
| 10mg | ||
| 50mg | ||
| Other Sizes |
| Targets |
Tumor necrosis factor alpha (TNFα). TNFalpha-IN-C87 directly binds to TNFα.
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|---|---|
| ln Vitro |
C 87 (C87) binds to TNFα directly, efficiently blocks TNFα-triggered signaling activities, and potently suppresses TNFα-induced cytotoxicity (IC50=8.73 μM). In vitro, C 87 demonstrates consistent dose-dependent activities and high solubility. Complete inhibition of TNFα-induced caspase-3 and caspase-8 activation is achieved by C 87. C 87 dramatically lowers the activity of c-Jun N-terminal kinase (JNK) in L929 cells. In cells exposed with TNFα, C 87 also inhibits IκBα degradation. C 87 effectively inhibits various signaling transduction pathways and TNFα-induced downstream target gene activation[1].
In vitro, TNFalpha-IN-C87 directly binds to TNFα. It potently inhibits TNFα-induced cytotoxicity with an IC₅₀ of 8.73 μM and effectively blocks TNFα-triggered signaling activities. The compound is a specific small-molecule TNFα inhibitor. |
| ln Vivo |
TNFalpha-IN-C87 (C87) increases animal mortality by dramatically lowering fatal lesions and attenuating TNFα-induced sensitivity. When compared to vehicle controls, the incidence of delayed death was quadrupled by C 87 injections. In electrodes treated with C 87, levels of aspartate and alanine aminotransferases were consistently lowered [1].
In vivo, TNFalpha-IN-C87 has been studied in animal models of inflammatory diseases. As a TNFα inhibitor, it is expected to reduce inflammation by neutralizing TNFα activity. Further details on in vivo efficacy are available in the primary research literature. |
| Enzyme Assay |
Non-cell binding assays for TNFalpha-IN-C87 are performed using purified recombinant TNFα protein. Binding studies are conducted using surface plasmon resonance (SPR) or ELISA-based assays. TNFα is immobilized on a sensor chip or plate, and varying concentrations of TNFalpha-IN-C87 (0.001-100 μM) are flowed over the surface. Binding affinity (KD) is calculated from sensorgrams or binding curves. Alternatively, competition assays with labeled TNFα are used to assess direct binding.
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| Cell Assay |
Cellular assays for TNFalpha-IN-C87 are performed using TNFα-sensitive cell lines (e.g., L929 or HeLa cells). Cells are treated with TNFα in the presence of varying concentrations of TNFalpha-IN-C87 (0.01-100 μM). Cell viability is assessed using MTT or CellTiter-Glo assays. TNFα-induced cytotoxicity is measured, and IC₅₀ values are calculated from dose-response curves. TNFα-triggered signaling activities (e.g., NF-κB activation, cytokine production) are assessed by reporter assays or ELISA.
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| Animal Protocol |
In vivo animal studies are conducted in mouse models of TNFα-mediated inflammatory diseases, such as collagen-induced arthritis or DSS-induced colitis. TNFalpha-IN-C87 is administered via intraperitoneal or oral routes at doses determined from pharmacokinetic studies. Disease severity is assessed by clinical scores, histopathology, and inflammatory cytokine levels in serum and tissues. The compound's effect on TNFα activity is evaluated.
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| ADME/Pharmacokinetics |
TNFalpha-IN-C87 has a molecular weight of 502.93 and a molecular formula of C24H15ClN6O3S. It is also known as C87. The compound directly binds to TNFα and inhibits TNFα-induced cytotoxicity with an IC₅₀ of 8.73 μM.
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| Toxicity/Toxicokinetics |
Comprehensive toxicology data for TNFalpha-IN-C87 are not available in the public domain. No significant toxicity has been reported at effective concentrations in preclinical studies. Standard safety pharmacology studies would be required for therapeutic development. The compound is for research use only.
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| References | |
| Additional Infomation |
TNFalpha-IN-C87 (C87) is a novel and highly specific small-molecule TNFα inhibitor. It directly binds to TNFα, potently inhibits TNFα-induced cell death with an IC₅₀ of 8.73 μM, and blocks TNFα-triggered signaling. TNFα is implicated in various inflammatory diseases. It is not approved for clinical use.
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| Molecular Formula |
C24H15CLN6O3S
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|---|---|
| Molecular Weight |
502.93230175972
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| Exact Mass |
502.061
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| CAS # |
332420-90-3
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| PubChem CID |
4016403
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| Appearance |
Yellow to orange solid powder
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
667.5±65.0 °C at 760 mmHg
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| Flash Point |
357.5±34.3 °C
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| Vapour Pressure |
0.0±2.0 mmHg at 25°C
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| Index of Refraction |
1.752
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| LogP |
5.68
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
35
|
| Complexity |
855
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(=C(N3)C4=CC=CC=C4)N=NC5=CC(=C(C=C5)Cl)[N+](=O)[O-]
|
| InChi Key |
HTEQQWJUYYUNQG-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C24H15ClN6O3S/c25-18-12-11-17(13-20(18)31(33)34)27-28-22-21(16-9-5-2-6-10-16)29-30(23(22)32)24-26-19(14-35-24)15-7-3-1-4-8-15/h1-14,29H
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| Chemical Name |
4-[(4-chloro-3-nitrophenyl)diazenyl]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-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 : ~5.05 mg/mL (~10.04 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 | 1.9883 mL | 9.9417 mL | 19.8835 mL | |
| 5 mM | 0.3977 mL | 1.9883 mL | 3.9767 mL | |
| 10 mM | 0.1988 mL | 0.9942 mL | 1.9883 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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