UCB-6876
Based on 1 Customer Validation
UCB-6876 is a TNFα inhibitor. UCB-6876 specifically binds to the asymmetric crystalline form of TNF-α trimer with a KD of 22 μM. UCB-6876 is applicable to research related to autoimmune diseases (rheumatoid arthritis and Crohn's disease).
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- Purity: 98.49%
- CAS No.: 637324-45-9
- 화학식: C17H18N2O
- 분자량:266.34
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보관:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Biological Activity
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Chemical Information
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용액&용해도
- 순도&문서
- References
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Help & FAQs
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Biological Activity
UCB-6876 (187.5-250 μM; 3 min - at least 6 min) selectively binds to immobilised human TNF with slow association and dissociation kinetics, resulting in a Kd of 22 μM[1].
UCB-6876 (0.5 mM; overnight) binds to a central pocket in the human TNF trimer, stabilising an asymmetric conformation with a distorted AC receptor-binding site that is incompatible with full TNFR1 binding[1].
UCB-6876 binds to the asymmetric human TNF-α trimer (PDB ID 6OOY) with a K0 of 22 μM, forming a critical hydrogen bond with residue TYR151.C[2].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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CAS No. 637324-45-9
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Appearance Solid
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분자량 266.34
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화학식 C17H18N2O
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Color Off-white to light yellow
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SMILES
OCC1=NC2=C(N1CC3=CC(C)=CC=C3C)C=CC=C2
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선적
Room temperature in continental US; may vary elsewhere.
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보관
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
용액&용해도
DMSO : 100 mg/mL (375.46 mM; ultrasonic and warming and heat to 80°C; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Select the appropriate dissolution method based on your experimental animal and administration route.
- For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
- To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
- The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.
Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: 2.5 mg/mL (9.39 mM); Clear solution; Need ultrasonic
This protocol yields a clear solution of 2.5 mg/mL.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Please enter the basic information of animal experiments:
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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
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%DMSO +
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
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%+
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+%Tween-80 + +
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%Saline +
The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).
Working solution concentration: 0.22 mg/mL
Method for preparing stock solution: mg drug dissolved in μL DMSO. Stock solution concentration: mg/mL.
1. Take μL DMSO stock solution;
2. Add μL .
μL , mix evenly;
3. Then add μL Tween 80, mix evenly;
4. Then add μL
Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.
순도&문서
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Data Sheet (277 KB)
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SDS (393 KB)
- English - EN (393 KB)
- Français - FR (393 KB)
- Deutsch - DE (393 KB)
- Norwegian - NO (393 KB)
- Español - ES (393 KB)
- Swedish - SV (393 KB)
- Italian - IT (393 KB)
- Korean - KR (393 KB)
- Portuguese - PT (393 KB)
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Handling Instructions (2659 KB)
References
[1]. O'Connell J, et al. Small molecules that inhibit TNF signalling by stabilising an asymmetric form of the trimer. Nat Commun. 2019;10(1):5795. Published 2019 Dec 19. [Content Brief]
[2]. Eguida M, et al. Unexpected similarity between HIV-1 reverse transcriptase and tumor necrosis factor binding sites revealed by computer vision. J Cheminform. 2021;13(1):90. Published 2021 Nov 23. [Content Brief]
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 3.7546 mL | 18.7730 mL | 37.5460 mL | 93.8650 mL |
| 5 mM | 0.7509 mL | 3.7546 mL | 7.5092 mL | 18.7730 mL | |
| 10 mM | 0.3755 mL | 1.8773 mL | 3.7546 mL | 9.3865 mL | |
| 15 mM | 0.2503 mL | 1.2515 mL | 2.5031 mL | 6.2577 mL | |
| 20 mM | 0.1877 mL | 0.9386 mL | 1.8773 mL | 4.6932 mL | |
| 25 mM | 0.1502 mL | 0.7509 mL | 1.5018 mL | 3.7546 mL | |
| 30 mM | 0.1252 mL | 0.6258 mL | 1.2515 mL | 3.1288 mL | |
| 40 mM | 0.0939 mL | 0.4693 mL | 0.9386 mL | 2.3466 mL | |
| 50 mM | 0.0751 mL | 0.3755 mL | 0.7509 mL | 1.8773 mL | |
| 60 mM | 0.0626 mL | 0.3129 mL | 0.6258 mL | 1.5644 mL | |
| 80 mM | 0.0469 mL | 0.2347 mL | 0.4693 mL | 1.1733 mL | |
| 100 mM | 0.0375 mL | 0.1877 mL | 0.3755 mL | 0.9386 mL |
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