| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| Other Sizes |
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| Targets |
CD40 25 nM (IC50)
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|---|---|
| ln Vitro |
With an IC50 of 30 nM, TNF-α-IN-2 (Compound 42) (30 min) suppresses the expression of E-selectin in HUVECs produced by soluble TNFα [1].
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| ln Vivo |
Mice's TNF-induced IL-6 is inhibited by TNF-α-IN-2 (5-25 mg/kg; orally delivered 1 hour before TNF stimulation)[1]. In mice, TNF-α-IN-2 (2–10 mg/kg; orally, twice daily for 10 days) dose-dependently lowers leukocyte surface receptor levels, inflammatory cytokine levels, and clinical scores[1]. Mice treated with 0.5 mg/kg of TNF-α-IN-2 (iv) have a lengthy t1/2 (6.2 h), low CL (6.6 mL/min?kg), and a Vss of 3.2 L/kg[1]. Following oral dosing, TNF-α-IN-2 (2 mg/kg; po) in mice demonstrates high bioavailability (58%), Cmax (0.47 μM), and AUCtot (5.9 μM?h)[1].
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| Animal Protocol |
Animal/Disease Models: Female C57Bl/6 mice[1]
Doses: 5, 25 mg/kg Route of Administration: Po 1 h prior to TNF stimulation Experimental Results: Inhibited IL-6 moderately at 5 mg/kg while the inhibition at 25 mg/kg was similar to mouse Enbrel, which served as the positive control in the study. |
| References |
[1]. Xiao HY, et, al. Biologic-like In Vivo Efficacy with Small Molecule Inhibitors of TNFα Identified Using Scaffold Hopping and Structure-Based Drug Design Approaches. J Med Chem. 2020 Dec 1.
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| Molecular Formula |
C25H21CLF2N6O
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|---|---|
| Molecular Weight |
494.92
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| CAS # |
2074702-04-6
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| SMILES |
C(#N)C1=CC=C(F)C([C@H](NC2C3C(N=C(C)C=2Cl)=CC(F)=C(C2=CN=C(C(O)(C)C)N=C2)N=3)C)=C1
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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: 100 mg/mL (202.05 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (5.05 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
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. Solubility in Formulation 2: ≥ 2.5 mg/mL (5.05 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0205 mL | 10.1026 mL | 20.2053 mL | |
| 5 mM | 0.4041 mL | 2.0205 mL | 4.0411 mL | |
| 10 mM | 0.2021 mL | 1.0103 mL | 2.0205 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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