Referencia número: HY-162266

C3TD879

Revisión del cliente

Based on 1 Customer Validation

C3TD879 is a Type I kinase inhibitor that potently inhibits CITK catalytic activity (IC₅₀ = 12 nM). C3TD879 binds directly to full-length human CITK in cells (NanoBRET K_d < 10 nM). C3TD879 is a chemical probe suitable for interrogating the complex biology of CITK.

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Pureza: 98.41%
No. CAS: 2850259-33-3
Fòrmula: C₂₂H₂₈N₄O
Peso molecular:364.48

Almacenamiento:

Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month

C3TD879 Chemical Structure

No. CAS: 2850259-33-3

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Amount: USD 0.00

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Actividad biológica
- Descripciòn
- IC₅₀ & Target
- Cellular Effect
- In Vitro
Chemical Information
Solvente y solubilidad
- In Vitro
- In Vivo
Pureza y Documentación
Referencias
Help & FAQs
Classifications
Bioz

Actividad biológica

Descripciòn

IC₅₀ & Target

IC50: 12 nM (Citron kinase, CITK)^[1]

Cellular Effect

Cell Line	Type	Value	Description	References
786-0	GI₅₀	<2 μM Compound: 58; C3TD879	Antiproliferative activity against human 786-0 Panel cells assessed as cell viability incubated for 48 hrs by CellTiter-Glo cell viability assay Antiproliferative activity against human 786-0 Panel cells assessed as cell viability incubated for 48 hrs by CellTiter-Glo cell viability assay	[PMID: 38330278]
COLO 205	GI₅₀	<2 μM Compound: 58; C3TD879	Antiproliferative activity against human COLO 205 Panel cells assessed as cell viability incubated for 48 hrs by CellTiter-Glo cell viability assay Antiproliferative activity against human COLO 205 Panel cells assessed as cell viability incubated for 48 hrs by CellTiter-Glo cell viability assay	[PMID: 38330278]
Hs-578T	GI₅₀	<2 μM Compound: 58; C3TD879	Antiproliferative activity against human Hs-578T cells assessed as cell viability incubated for 48 hrs by CellTiter-Glo cell viability assay Antiproliferative activity against human Hs-578T cells assessed as cell viability incubated for 48 hrs by CellTiter-Glo cell viability assay	[PMID: 38330278]
Panel NCI-60 (60 carcinoma cell lines)	GI₅₀	7 μM Compound: 58; C3TD879	Antiproliferative activity against human Panel NCI-60 (60 carcinoma cell lines) assessed as cell viability incubated for 48 hrs by CellTiter-Glo cell viability assay Antiproliferative activity against human Panel NCI-60 (60 carcinoma cell lines) assessed as cell viability incubated for 48 hrs by CellTiter-Glo cell viability assay	[PMID: 38330278]

In Vitro

C3TD879 demonstrates a promising profile in vitro, with low microsomal intrinsic clearance, modest PPB fraction unbound, high permeability, and low inhibition of key CYP enzymes^[1].
C3TD879 (100 μM) can bind to and stabilize recombinant CITK^KD purified from E. coli or insect cells^[1].
C3TD879 (0.1 nM-100 μM) binds directly to NL-CITK^KD (K_d = 0.3 nM) and full length NL-CITK (K_d = 9.5 nM) in intact HEK293 cells^[1].

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

Chemical Information

No. CAS 2850259-33-3
Appearance Solid
Peso molecular 364.48
Fòrmula C₂₂H₂₈N₄O
Color White to off-white
SMILES

CC1=CC(NC([C@H](N)CC(C)(C)C)=O)=CC=C1C2=C3C(NC(C)=C3)=NC=C2
Envío

Room temperature in continental US; may vary elsewhere.

Almacenamiento

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	6 months
	-20°C	1 month

Solvente y solubilidad

In Vitro:

DMSO : 100 mg/mL (274.36 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

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

2.7436 mL

13.7182 mL

27.4363 mL

5 mM

0.5487 mL

2.7436 mL

5.4873 mL

10 mM

0.2744 mL

1.3718 mL

2.7436 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.

Calculadora de molaridad

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

Mass Mass

Concentration Concentration

Volume Volume

Molecular Weight Molecular Weight

Calculadora de dilución

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

Concentration _(start) Concentration _(start)

Volume _(start) Volume _(start)

Concentration _(final) Concentration _(final)

Volume _(final) Volume _(final)

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: ≥ 2.5 mg/mL (6.86 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).

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.

Protocol 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)

Solubility: ≥ 2.5 mg/mL (6.86 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.

Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil

Solubility: ≥ 2.5 mg/mL (6.86 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL Corn oil, 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

Pureza y Documentación

Select Batch:

Pureza: 99.98%

Assay: 99.98%

ee.: 99.98%

Ficha de datos (274 KB)
SDS (251 KB)
- English - EN (251 KB)
- Français - FR (251 KB)
- Deutsch - DE (251 KB)
- Norwegian - NO (251 KB)
- Español - ES (251 KB)
- Swedish - SV (251 KB)
- Italian - IT (251 KB)
- Korean - KR (251 KB)
- Portuguese - PT (251 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)
Instrucciones de manejo (2659 KB)

Referencias

[1]. Maw JJ, et al. Discovery and Characterization of Selective, First-in-Class Inhibitors of Citron Kinase. J Med Chem. 2024 Feb 22;67(4):2631-2666. [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	2.7436 mL	13.7182 mL	27.4363 mL	68.5909 mL
	5 mM	0.5487 mL	2.7436 mL	5.4873 mL	13.7182 mL
	10 mM	0.2744 mL	1.3718 mL	2.7436 mL	6.8591 mL
	15 mM	0.1829 mL	0.9145 mL	1.8291 mL	4.5727 mL
	20 mM	0.1372 mL	0.6859 mL	1.3718 mL	3.4295 mL
	25 mM	0.1097 mL	0.5487 mL	1.0975 mL	2.7436 mL
	30 mM	0.0915 mL	0.4573 mL	0.9145 mL	2.2864 mL
	40 mM	0.0686 mL	0.3430 mL	0.6859 mL	1.7148 mL
	50 mM	0.0549 mL	0.2744 mL	0.5487 mL	1.3718 mL
	60 mM	0.0457 mL	0.2286 mL	0.4573 mL	1.1432 mL
	80 mM	0.0343 mL	0.1715 mL	0.3430 mL	0.8574 mL
	100 mM	0.0274 mL	0.1372 mL	0.2744 mL	0.6859 mL

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C3TD879

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Coagulation and Anti-coagulation Compound Library

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Protein Kinase Compound Library

High-Throughput Bioactive Compound Library

Actividad biológica

Chemical Information

Solvente y solubilidad

Pureza y Documentación

Referencias

Help & FAQs

Complete Stock Solution Preparation Table

C3TD879

Metabolism/Protease Compound Library

Anti-Cancer Compound Library

Coagulation and Anti-coagulation Compound Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

Protein Kinase Compound Library

High-Throughput Bioactive Compound Library

Actividad biológica

Chemical Information

Solvente y solubilidad

Pureza y Documentación

Referencias

Help & FAQs

Complete Stock Solution Preparation Table

C3TD879 Related Classifications

HY-162266 Related Classifications