Art. -Nr.: HY-173149

CDD-2789

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CDD-2789 is a potent and selective ALK2 inhibitor with an IC₅₀ 0.54 μM and a K_d 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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CAS. Nr.: 3052084-77-9
Formel: C₂₆H₃₄N₄O₄
Molecular Weight:466.57

Speicherung:

Pure form -20°C, 3 years ; In solvent -80°C, 6 months , -20°C, 1 month

Data Sheet (274 KB)

CDD-2789 Chemical Structure

CAS. Nr.: 3052084-77-9

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Biologische Aktivität
- Beschreibung
- IC₅₀ & Target
- In Vitro
- Parmacokinetics
- In Vivo
Chemical Information
Lösungsmittel & Löslichkeit
- In Vitro
- In Vivo
Reinheit & Dokumentation
Verweise
Help & FAQs
Classifications
Bioz

Biologische Aktivität

Beschreibung

IC₅₀ & Target^[1]

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)

Alle TGF-beta/Smad Isoform-spezifische Produkte anzeigen :

Smad1
Smad3

Alle TGF-β Receptor Isoform-spezifische Produkte anzeigen :

In Vitro

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 ALK2^R206H (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.

Western Blot Analysis^[1]

Cell Line:

WT and FOP fibroblasts
Concentration:

1; 5; 25 μM
Incubation Time:

30 min
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.

Parmacokinetics

Species	Dose	Route	T_max	C_max	T_1/2	AUC_0-t	AUC_0-∞	MRT_0-t	MRT_0-∞
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

In Vivo

CDD-2789 (20, 30 and 50 mg/kg; p.o.; 每日给药或一日两次) does not reduce heterotopic ossification in ALK2^Q207D transgenic mice^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Animal Model:

CAG-Z-EGFP-ALK2^Q207D transgenic mice with heterotopic
ossification (HO)^[1]
Dosage:

20; 30; 50 mg/kg
Administration:

i.g.; qd or BID
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

CAS. Nr. 3052084-77-9
Appearance Liquid (Density: 1.228±0.14 g/cm³)
Molecular Weight 466.57
Formel C₂₆H₃₄N₄O₄
Color Colorless to light yellow
SMILES

COC1=C(OC)C=C(C2=NC(C=CC(C(NCCCN(C)C)=O)=C3)=C3N2C4CCC4)C=C1OC
Versand

Room temperature in continental US; may vary elsewhere.

Speicherung

Pure form	-20°C	3 years
In solvent	-80°C	6 months
	-20°C	1 month

Lösungsmittel & Löslichkeit

In Vitro:

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.

View the Complete Stock Solution Preparation Table

Preparing Stock Solutions

View the Complete Stock Solution Preparation Table

Concentration Solvent Mass

1 mg

5 mg

10 mg

Concentration

Solvent

Mass

1 mM

2.1433 mL

10.7165 mL

21.4330 mL

5 mM

0.4287 mL

2.1433 mL

4.2866 mL

10 mM

0.2143 mL

1.0717 mL

2.1433 mL

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.

Molaritätsrechner

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass Mass

Konzentration Konzentration

Volumen Volumen

Molecular Weight Molecular Weight

Verdünnungsrechner

Konzentration _{(Stammlösung)} × Volumen _{(Stammlösung)} = Konzentration _{(Ziellösung)} × Volumen _{(Ziellösung)}

Konzentration _{(Stammlösung)} Konzentration _{(Stammlösung)}

Volumen _{(Stammlösung)} Volumen _{(Stammlösung)}

Konzentration _{(Ziellösung)} Konzentration _{(Ziellösung)}

Volumen _{(Ziellösung)} Volumen _{(Ziellösung)}

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

Stock Solution Working Solution

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.

Protocol 1

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.

Protocol 2

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.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage Dosage
mg/kg
Animal Weight (Per Animal) Animal Weight (Per Animal)
g
Dosing Volume (Per Animal) Dosing Volume (Per Animal)
μL
Number of Animals Number of Animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

%
DMSO +

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
%
+
+
%
Tween-80 + +
%
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

Reinheit & Dokumentation

Select Batch:

Reinheit: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (274 KB)
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)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 KB)
Handling Instructions (2659 KB)

Verweise

[1]. Jimmidi R, et al. Discovery of highly potent and ALK2/ALK1 selective kinase inhibitors using DNA-encoded chemistry technology. Proc Natl Acad Sci U S A. 2024 Nov 19;121(47):e2413108121. [Content Brief]

Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

Complete Stock Solution Preparation Table

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

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CDD-2789

Kinase Inhibitor Library

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Stem Cell Signaling Compound Library

TGF-beta/Smad Compound Library

Wnt/Hedgehog/Notch Compound Library

Anti-Cancer Compound Library

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Transcription Factor-Targeted Library

Anti-Colorectal Cancer Compound Library

Anti-Prostate Cancer Compound Library

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Osteogenesis Compound Library

Cancer Stem Cells Compound Library

Membrane Protein-targeted Compound Library

Membrane Receptor-targeted Compound Library

Highly Selective Inhibitors Library

Cytokine Inhibitors Library

Serine/Threonine Kinase Inhibitor Library

Multi-Target Compound Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

Anti-Fibrosis Compound Library

Anti-Brain Cancer Compound Library

Protein Kinase Compound Library

Cell Proliferation Compound Library

High-Throughput Bioactive Compound Library

Alle TGF-beta/Smad Isoform-spezifische Produkte anzeigen

Alle TGF-β Receptor Isoform-spezifische Produkte anzeigen

Biologische Aktivität

Chemical Information

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

CDD-2789 Related Classifications

HY-173149 Related Classifications