| Size | Price | Stock | Qty |
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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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| Other Sizes |
| Targets |
UCB-5307 targets TNFα (tumor necrosis factor alpha). It is a TNF inhibitor with a Kd of 9 nM for human TNFα. TNF directly binds with slow binding kinetics, with a KD of 6 nM. By inhibiting TNF signaling, UCB-5307 modulates immune responses and is being investigated as a potential treatment for autoimmune diseases.
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| ln Vitro |
UCB-5307 suppresses L57F TNF but not wild-type TNF. UCB-5307 has a T1/2 of 3.3 hours[1]. The preformed hTNF/hTNFR1 complex is destroyed by UCB-5307, which also disassembles the preformed complex and preloads hTNF with UCB-5307 to block one receptor binding [1]. In order to stabilize the twisted trimer body and decrease signaling through TNFR1, UCB-5307 binds to a pocket in the center of the TNF trimer, which is formed by the movement of TNF [1].
In vitro, UCB-5307 inhibits TNFR1 signal transduction and downstream function. It shows inhibitory activity against wild-type TNF but not against L57F TNF. It can disrupt preformed hTNF/hTNFR1 complexes and replace one of the receptors. It has a half-life of 3.3 hours. |
| ln Vivo |
In vivo, UCB-5307 is being investigated as a potential treatment for autoimmune diseases, such as rheumatoid arthritis and lupus, as well as certain B-cell malignancies. However, specific in vivo efficacy data and detailed animal study results are not extensively reported.
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| Enzyme Assay |
In vitro receptor binding assays for UCB-5307 involve studying its binding to TNFα. Techniques such as surface plasmon resonance (SPR) can be used to measure the binding affinity (KD). Functional assays are used to confirm its inhibitory effects on TNFR1 signal transduction.
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| Cell Assay |
In vitro cellular assays for UCB-5307 are performed using cell lines to study its effects on TNF signaling. Cells are treated with the compound and then stimulated with TNF. The inhibition of downstream signaling pathways, such as NF-κB activation, is measured.
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| Animal Protocol |
In vivo animal studies with UCB-5307 would typically be conducted in mouse models of autoimmune diseases to evaluate its efficacy. The compound would be administered, and disease severity and immune responses would be assessed. However, specific protocols are not detailed.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of UCB-5307 indicate a half-life of 3.3 hours. Specific parameters such as oral bioavailability, volume of distribution, and clearance are not detailed.
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| Toxicity/Toxicokinetics |
The toxicity profile of UCB-5307 is not extensively reported. As a research compound, it is for research use only and not for human therapeutic use. No specific toxicity data are detailed.
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| References | |
| Additional Infomation |
UCB-5307 (CAS 1515887-44-1) is a small molecule TNF inhibitor with a KD of 9 nM for human TNFα. It inhibits TNFR1 signal transduction and can penetrate preformed hTNF/hTNFR1 complexes. It has potential applications in autoimmune disease research and is available for research purposes only.
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| Molecular Formula |
C22H21N3O
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|---|---|
| Molecular Weight |
343.421644926071
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| Exact Mass |
343.168
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| CAS # |
1515887-44-1
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| PubChem CID |
90033751
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| Appearance |
White to off-white solid powder
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| LogP |
3.5
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
26
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| Complexity |
453
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| Defined Atom Stereocenter Count |
0
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| SMILES |
OC(C1C=CN=CC=1)C1=NC2C=CC=CC=2N1CC1C=C(C)C=CC=1C
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| InChi Key |
MKABLXAUPLCAHG-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H21N3O/c1-15-7-8-16(2)18(13-15)14-25-20-6-4-3-5-19(20)24-22(25)21(26)17-9-11-23-12-10-17/h3-13,21,26H,14H2,1-2H3
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| Chemical Name |
[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-pyridin-4-ylmethanol
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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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 : ~50 mg/mL (~145.59 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.28 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (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 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (7.28 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (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 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (7.28 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9119 mL | 14.5594 mL | 29.1189 mL | |
| 5 mM | 0.5824 mL | 2.9119 mL | 5.8238 mL | |
| 10 mM | 0.2912 mL | 1.4559 mL | 2.9119 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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