VUBI1 analogue-1
Based on 1 Customer Validation
VUBI1 analogue-1 is a structural analog of VUBI1 (HY-111671), and also a key synthetic intermediate for the synthesis of SOS1 activators. VUBI1 analogue-1 can be used to synthesize (4S)-PROTAC SOS1 degrader-1 (HY-144657) for cancer-related research.
For research use only. We do not sell to patients.
- Purity : 98.94%
- CAS No.: 2245237-61-8
- Formula: C26H29BrClFN4O2
- Molecular Weight:563.89
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Storage:
-20°C, sealed storage, away from moisture and light
* In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture and light)
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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Solvent & Solubility
- Purity & Documentation
- References
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Help & FAQs
Biological Activity
Description
In Vitro
VUBI1 analogue-1 (compound 79) is a key intermediate used to prepare the 4-methylpiperazine-substituted SOS1 agonist compound 64 via nucleophilic substitution, which exhibits potent activity in activating the SOS1/RAS/ERK pathway in cells (ICW EC50 = 5.9 μM in HeLa cells and 10.0 μM in H727 cells)[1].
VUBI1 analogue-1, serving as a key intermediate, is used to prepare the 3,5-dimethylpyrazole-substituted SOS1 agonist compound 65 via the Suzuki coupling reaction, which has a Kd of 9 nM against SOS1[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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CAS No. 2245237-61-8
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Appearance Solid
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Molecular Weight 563.89
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Formula C26H29BrClFN4O2
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Color White to light yellow
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SMILES
O=C(N1CC2(CN(C2)C3=NC4=C(N3CC5=CC(C)=C(F)C(C)=C5)C=C(Cl)C=C4Br)C1)OC(C)(C)C
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
-20°C, sealed storage, away from moisture and light
* In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture and light)
Solvent & Solubility
In Vitro:
DMSO : 25 mg/mL (44.33 mM; ultrasonic and warming and heat to 60°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 (sealed storage, away from moisture and light). 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 (sealed storage, away from moisture and light). 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)
In Vivo:
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.
In Vivo Dissolution Calculator
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. * In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture and light)
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.
Purity & Documentation
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Data Sheet (284 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
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 (sealed storage, away from moisture and light). 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 | 1.7734 mL | 8.8670 mL | 17.7340 mL | 44.3349 mL |
| 5 mM | 0.3547 mL | 1.7734 mL | 3.5468 mL | 8.8670 mL | |
| 10 mM | 0.1773 mL | 0.8867 mL | 1.7734 mL | 4.4335 mL | |
| 15 mM | 0.1182 mL | 0.5911 mL | 1.1823 mL | 2.9557 mL | |
| 20 mM | 0.0887 mL | 0.4433 mL | 0.8867 mL | 2.2167 mL | |
| 25 mM | 0.0709 mL | 0.3547 mL | 0.7094 mL | 1.7734 mL | |
| 30 mM | 0.0591 mL | 0.2956 mL | 0.5911 mL | 1.4778 mL | |
| 40 mM | 0.0443 mL | 0.2217 mL | 0.4433 mL | 1.1084 mL |
VUBI1 analogue-1 Related Classifications
HY-153606 Related Classifications
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