Seco-DUBA
Based on 1 Customer Validation
Seco-DUBA hydrochloride is a DNA-targeting cytotoxic agent. Seco-DUBA hydrochloride binds to the minor groove of A-T-rich DNA regions, alkylates the adenine N3 residue, and undergoes spontaneous spirocyclization to generate active DUBA (HY-160969). Seco-DUBA hydrochloride exerts cytotoxic activity against human cancer cells. The reduced hydrophobicity of Seco-DUBA hydrochloride supports the development of antibody-drug conjugates.
Para uso exclusivo en investigación. No vendemos a pacientes.
- Pureza : 98.95%
- No. CAS: 1227961-59-2
- Fòrmula: C29H23ClN4O4
- Peso molecular:526.97
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Almacenamiento:
-20°C, stored under nitrogen
* In solvent : -80°C, 6 months; -20°C, 1 month (stored under nitrogen)
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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Actividad biológica
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Chemical Information
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Solvente y solubilidad
- Protocolo
- Pureza y Documentación
- Referencias
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Help & FAQs
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Actividad biológica
Descripciòn
Cellular Effect
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Cell Line
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Type | Value | Description | References |
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| SK-BR-3 | IC50 |
0.09 nM
Compound: 101
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Cytotoxicity against human SK-BR-3 cells incubated for 144 hrs by CellTiter-Glo luminescent assay
Cytotoxicity against human SK-BR-3 cells incubated for 144 hrs by CellTiter-Glo luminescent assay
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[PMID: 39068862] |
In Vitro
Seco-DUBA (SK-BR-3 cells; 0.0001 pM~0.01 nM; 144 hours) dose-dependent reduces cell viability and shows equally potent and efficacious as DUBA[1].
Seco-DUBA causes SK-BR-3 (IC50=0.09), SK-OV-3 (IC50=0.43), and SW620 (IC50=0.09) cells to exhibit highly sensitive[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Cell Line:SK-BR-3 cells
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Concentration:0.0001 pM~0.01 nM
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Incubation Time:144 hours
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Result:Dose-dependent reduced cell viability.
In Vivo
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:Wistar rats[1]
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Dosage:89 μg/kg (Pharmacokinetic Analysis)
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Administration:I.v.
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Result:Likely converted to DUBA almost instantaneously.
Chemical Information
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No. CAS 1227961-59-2
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Appearance Solid
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Peso molecular 526.97
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Fòrmula C29H23ClN4O4
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Color Light yellow to brown
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SMILES
O=C(NC1=CN2C(C=C1)=NC(C(N3C[C@@H](CCl)C4=C3C=C(O)C5=CC=CC(C)=C45)=O)=C2)C6=CC=C(O)C=C6
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Envío
Room temperature in continental US; may vary elsewhere.
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Almacenamiento
-20°C, stored under nitrogen
* In solvent : -80°C, 6 months; -20°C, 1 month (stored under nitrogen)
Solvente y solubilidad
In Vitro:
DMSO : 100 mg/mL (189.76 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 (stored under nitrogen). 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 (stored under nitrogen). 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.
Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: 1 mg/mL (1.90 mM); Suspended solution; Need ultrasonic
This protocol yields a suspended solution of 1 mg/mL. Suspended solution can be used for oral and intraperitoneal injection.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (10.0 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.
Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: 1 mg/mL (1.90 mM); Suspended solution; Need ultrasonic
This protocol yields a suspended solution of 1 mg/mL. Suspended solution can be used for oral and intraperitoneal injection.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (10.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
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 (stored under nitrogen)
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.
Pureza y Documentación
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Ficha de datos (274 KB)
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SDS (252 KB)
- English - EN (252 KB)
- Français - FR (252 KB)
- Deutsch - DE (252 KB)
- Norwegian - NO (252 KB)
- Español - ES (252 KB)
- Swedish - SV (252 KB)
- Italian - IT (252 KB)
- Korean - KR (252 KB)
- Portuguese - PT (252 KB)
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Instrucciones de manejo (2659 KB)
Referencias
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 (stored under nitrogen). 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 | 1.8976 mL | 9.4882 mL | 18.9764 mL | 47.4410 mL |
| 5 mM | 0.3795 mL | 1.8976 mL | 3.7953 mL | 9.4882 mL | |
| 10 mM | 0.1898 mL | 0.9488 mL | 1.8976 mL | 4.7441 mL | |
| 15 mM | 0.1265 mL | 0.6325 mL | 1.2651 mL | 3.1627 mL | |
| 20 mM | 0.0949 mL | 0.4744 mL | 0.9488 mL | 2.3721 mL | |
| 25 mM | 0.0759 mL | 0.3795 mL | 0.7591 mL | 1.8976 mL | |
| 30 mM | 0.0633 mL | 0.3163 mL | 0.6325 mL | 1.5814 mL | |
| 40 mM | 0.0474 mL | 0.2372 mL | 0.4744 mL | 1.1860 mL | |
| 50 mM | 0.0380 mL | 0.1898 mL | 0.3795 mL | 0.9488 mL | |
| 60 mM | 0.0316 mL | 0.1581 mL | 0.3163 mL | 0.7907 mL | |
| 80 mM | 0.0237 mL | 0.1186 mL | 0.2372 mL | 0.5930 mL | |
| 100 mM | 0.0190 mL | 0.0949 mL | 0.1898 mL | 0.4744 mL |
Seco-DUBA Related Classifications
HY-132180A Related Classifications
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