CDD-2789
Based on 1 Customer Validation
CDD-2789 is a potent and selective ALK2 inhibitor with an IC50 0.54 μM and a Kd of 2.1 nM, respectively. CDD-2789 exhibits >120-fold selectivity over ALK3/5/6. CDD-2789 reduces activin A- and BMP2-induced SMAD1/5 phosphorylation in fibroblasts. CDD-2789 can be used for ALK2-related cancer research.
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- No. CAS: 3052084-77-9
- Fòrmula: C26H34N4O4
- Peso molecular:466.57
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Almacenamiento:Pure form -20°C, 3 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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Actividad biológica
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Chemical Information
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Solvente y solubilidad
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Actividad biológica
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ALK1 3.9 nM (Kd) |
ALK2 2.1 nM (Kd) |
BMPR1A 541 nM (Kd) |
ALK6 254 nM (Kd) |
TGFBR1 847 nM (Kd) |
ACVR1 0.54 μM (IC50) |
ALK1 10.07 μM (IC50) |
CDD-2789 (1 μM) is highly selective for ALK2 and ALK1 over a panel of 403 human kinases[1].
CDD-2789 (2 h) engages with intracellular WT ALK2 (IC50 = 0.54 μM), mutant ALK2R206H (IC50 = 1.13 μM), and WT ALK1 (IC50 = 10.07 μM) in HEK293T cells, with ~19-fold selectivity for WT ALK2 over WT ALK1[1].
CDD-2789 (0.04-25 μM; 30 min) dose-dependently inhibits BMP2-, BMP6-, and BMP7-induced luciferase activity in 293 T-BRE-Luc cells[1].
CDD-2789 (1-25 μM; 30 min) dose-dependently inhibits activin A- and BMP2-induced pSMAD1/5 activation in primary FOP fibroblasts, without affecting pSMAD2/3 activation[1].
CDD-2789 (0-100 μM; 24 h) is nontoxic to HepG2 cells[1].
CDD-2789 binds to the ALK2 kinase domain active site through solvent-mediated hydrogen bonds and van der Waals contacts[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Cell Line:WT and FOP fibroblasts
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Concentration:1; 5; 25 μM
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Incubation Time:30 min
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Result:Significantly inhibited activin A-induced pSMAD1/5 activation in a dose-dependent manner.
Showed no significant effect on activin A-induced pSMAD2/3 activation.
Significantly reduced BMP2-induced pSMAD1/5 activation in both WT and FOP fibroblasts at all tested concentrations.
| Species | Dose | Route | Tmax | Cmax | T1/2 | AUC0-t | AUC0-∞ | MRT0-t | MRT0-∞ |
|---|---|---|---|---|---|---|---|---|---|
| Mice[1] | 50 mg/kg | i.g. | 1.75 h | 4.59 μM | 3.42 h | 32.16 μM/L·h | 32.42 μM/L·h | 4.60 h | 4.79 h |
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:CAG-Z-EGFP-ALK2Q207D transgenic mice with heterotopic
ossification (HO)[1] -
Dosage:20; 30; 50 mg/kg
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Administration:i.g.; qd or BID
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Result:Resulted in a Faxitron score of 2.58 for 30 mg/kg dose, compared to 1.75 for vehicle control.
Showed no reduction in heterotopic ossification formation relative to vehicle controls for 20 mg/kg and 50 mg/kg doses.
Chemical Information
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No. CAS 3052084-77-9
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Appearance Liquid (Density: 1.228±0.14 g/cm3)
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Peso molecular 466.57
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Fòrmula C26H34N4O4
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Color Colorless to light yellow
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SMILES
COC1=C(OC)C=C(C2=NC(C=CC(C(NCCCN(C)C)=O)=C3)=C3N2C4CCC4)C=C1OC
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Envío
Room temperature in continental US; may vary elsewhere.
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Almacenamiento
Pure form -20°C 3 years In solvent -80°C 6 months -20°C 1 month
Solvente y solubilidad
DMSO : ≥ 200 mg/mL (428.66 mM; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
* "≥" means soluble, but saturation unknown.
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: ≥ 5 mg/mL (10.72 mM); Clear solution
This protocol yields a clear solution of ≥ 5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 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: ≥ 5 mg/mL (10.72 mM); Clear solution
This protocol yields a clear solution of ≥ 5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 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.
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.
Pureza y Documentación
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Ficha de datos (274 KB)
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SDS (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. 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 | 2.1433 mL | 10.7165 mL | 21.4330 mL | 53.5825 mL |
| 5 mM | 0.4287 mL | 2.1433 mL | 4.2866 mL | 10.7165 mL | |
| 10 mM | 0.2143 mL | 1.0717 mL | 2.1433 mL | 5.3583 mL | |
| 15 mM | 0.1429 mL | 0.7144 mL | 1.4289 mL | 3.5722 mL | |
| 20 mM | 0.1072 mL | 0.5358 mL | 1.0717 mL | 2.6791 mL | |
| 25 mM | 0.0857 mL | 0.4287 mL | 0.8573 mL | 2.1433 mL | |
| 30 mM | 0.0714 mL | 0.3572 mL | 0.7144 mL | 1.7861 mL | |
| 40 mM | 0.0536 mL | 0.2679 mL | 0.5358 mL | 1.3396 mL | |
| 50 mM | 0.0429 mL | 0.2143 mL | 0.4287 mL | 1.0717 mL | |
| 60 mM | 0.0357 mL | 0.1786 mL | 0.3572 mL | 0.8930 mL | |
| 80 mM | 0.0268 mL | 0.1340 mL | 0.2679 mL | 0.6698 mL | |
| 100 mM | 0.0214 mL | 0.1072 mL | 0.2143 mL | 0.5358 mL |
CDD-2789 Related Classifications
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