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Purity: ≥98%
CDK9-PROTAC (PROTAC CDK9 Degrader-1) is a novel, potent and selective CDK9 (Cyclin-dependent kinase 9) degrader. CDK9-PROTAC is a heterobifunctional small molecule proteolysis targeting chimera (PROTAC) that can degrade CDK9 through proteasomal activity mediated by cereblon (CRBN). A member of the cyclin-dependent protein kinase (CDK) family, CDK9 is responsible for the transcriptional elongation of multiple target genes. There is widespread expression of CDK9, which has been linked to several cancers, including those of the pancreas, prostate, and breast. CDK9-PROTAC selectively degrades CDK9 in HCT116 cells, leaving other members of the CDK family intact. This is the first instance of a PROTAC that only breaks down CDK9.
| Targets |
CDK9
|
|---|---|
| ln Vitro |
In a dose-dependent manner, PROTAC CDK9 Degrader-1 (Compound 3; 2.5–20 μM; 6 hours) breaks down CDK9 in HCT116 cells [1].
|
| Cell Assay |
Western Blot Analysis[1]
Cell Types: HCT116 Cell Tested Concentrations: 2.5, 5, 10 and 20μM Incubation Duration: 6 hrs (hours) Experimental Results: CDK9 was degraded in a dose-dependent manner. |
| References |
[1]. Robb CM, et al. Chemically induced degradation of CDK9 by a proteolysis targeting chimera (PROTAC). Chem Commun (Camb). 2017 Jul 4;53(54):7577-7580.
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| Molecular Formula |
C33H35N5O7
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|---|---|
| Molecular Weight |
613.660308122635
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| Exact Mass |
613.25
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| Elemental Analysis |
C, 64.59; H, 5.75; N, 11.41; O, 18.25
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| CAS # |
2118356-96-8
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| Related CAS # |
2118356-96-8;
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| Appearance |
Solid powder
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| SMILES |
C1CC(C1)C2=CC(=NN2)NC(=O)CC3=CC=C(C=C3)OCCCCCOC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O
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| InChi Key |
WCEHIDWONYOKOJ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C33H35N5O7/c39-28-15-14-25(31(41)35-28)38-32(42)23-8-5-9-26(30(23)33(38)43)45-17-3-1-2-16-44-22-12-10-20(11-13-22)18-29(40)34-27-19-24(36-37-27)21-6-4-7-21/h5,8-13,19,21,25H,1-4,6-7,14-18H2,(H,35,39,41)(H2,34,36,37,40)
|
| Chemical Name |
N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentoxy]phenyl]acetamide
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| Synonyms |
PROTAC CDK9 Degrader-1; PROTAC CDK9 Degrader1; PROTAC CDK9 Degrader 1; CDK9PROTAC; CDK9 PROTAC; CDK9-PROTAC
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| HS Tariff Code |
2934.99.03.00
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO: ≥ 104 mg/mL (~169.5 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.07 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (4.07 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.6296 mL | 8.1478 mL | 16.2957 mL | |
| 5 mM | 0.3259 mL | 1.6296 mL | 3.2591 mL | |
| 10 mM | 0.1630 mL | 0.8148 mL | 1.6296 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
 PROTAC mechanism of action.
Structures of aminopyrazole inhibitors, thalidomide and a PROTAC degrader.Chem Commun (Camb).2017 Jul 4;53(54):7577-7580. |
|---|
 Left: Overlay of CDK2 (PDB id 1VYZ, yellow) and CDK9 (PDB id 4BCG, green). Right: Hinge region residues of CDK2 interacting with the nitrogen atoms of aminopyrazole core. The potential hydrogen bonds between the CDK2 hinge region and the inhibitor are shown dashed lines. |
 Effect of the aminopyrazole inhibitor, thalidomide and the PROTAC on a panel of kinases.Chem Commun (Camb).2017 Jul 4;53(54):7577-7580. |
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