| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| 50mg |
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| Other Sizes |
| Targets |
CDK9/cyclinT1 11 nM (IC50) CDK4/cyclin D 148 nM (IC50) CDK6/cyclinD 145 nM (IC50)
CDK9-IN-7 targets CDK9/cyclin T, a transcription-regulating kinase that phosphorylates RNA polymerase II to promote transcription elongation. The compound inhibits CDK9/cyclin T with an IC50 of 11 nM. It is highly selective for CDK9 over other CDKs, including CDK4/cyclinD (IC50 = 148 nM) and CDK6/cyclinD (IC50 = 145 nM). By inhibiting CDK9, the compound suppresses transcription of short-lived anti-apoptotic proteins, leading to apoptosis. |
|---|---|
| ln Vitro |
With IC50 values less than 0.5 µM, CDK9-IN-7 exhibits remarkable activity against NSCLC cell lines, particularly A549 and H1299. With an IC50 value of 0.837 µM, CDK9-IN-7 also shows good inhibitory potency in the drug-resistant NSCLC cell line H1975[1].
In vitro studies demonstrate that CDK9-IN-7 causes apoptosis in non-small cell lung cancer (NSCLC) cells and arrests the cell cycle in the G2 phase. The compound inhibits non-small cell lung cancer stem cells. It shows good inhibitory potency in the drug-resistant NSCLC cell line H1975 with an IC50 value of 0.837 μM. CDK9-IN-7 displays anti-cancer activity without apparent toxicity. The compound is highly selective for CDK9 over other CDKs. |
| ln Vivo |
In vivo, CDK9-IN-7 displays anti-cancer activity without apparent toxicity. The compound is orally active. It causes apoptosis in NSCLC cells and inhibits cancer stem cells. The compound's selectivity for CDK9 over other CDKs may contribute to its favorable safety profile. Further studies would be needed to evaluate its efficacy in various cancer models.
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| Enzyme Assay |
The CDK9 inhibitory activity of CDK9-IN-7 can be assessed using in vitro kinase assays. In a typical assay, recombinant CDK9/cyclin T kinase is incubated with a peptide substrate, ATP (including radiolabeled ³³P-ATP), and varying concentrations of CDK9-IN-7. The incorporation of phosphate into the substrate is measured, and the IC50 is calculated. The IC50 for CDK9/cyclin T inhibition is 11 nM. The selectivity against other CDKs is assessed using similar assays.
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| Cell Assay |
The cellular activity of CDK9-IN-7 is assessed using non-small cell lung cancer (NSCLC) cell lines, including drug-resistant H1975 cells. Cells are treated with escalating concentrations of CDK9-IN-7. Cell viability is measured using MTT or CellTiter-Glo assays. Apoptosis is assessed by annexin V/propidium iodide staining or caspase activation assays. Cell cycle analysis is performed using flow cytometry. Cancer stem cell properties are assessed using sphere formation assays or by measuring stem cell markers.
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| Animal Protocol |
CDK9-IN-7 has been evaluated in animal models of cancer. In these studies, the compound is administered orally. Tumor volumes are measured. The compound displays anti-cancer activity without apparent toxicity. The compound's selectivity for CDK9 over other CDKs may contribute to its favorable efficacy and safety profile.
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| ADME/Pharmacokinetics |
CDK9-IN-7 is orally active, indicating favorable oral bioavailability. The compound has a molecular weight of approximately 450 g/mol. It is soluble in DMSO. Further studies would be needed to fully characterize its absorption, distribution, metabolism, and excretion properties, including half-life, Cmax, AUC, and tissue distribution.
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| Toxicity/Toxicokinetics |
In preclinical studies, CDK9-IN-7 displays anti-cancer activity without apparent toxicity. As a CDK9 inhibitor, it may have on-target effects on transcription in normal cells. Comprehensive toxicology studies would be required to evaluate its safety profile for potential therapeutic development. The compound's selectivity for CDK9 over other CDKs may contribute to a favorable safety profile.
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| References | |
| Additional Infomation |
CDK9-IN-7 (CAS# 2369981-71-3) is a highly selective and orally active CDK9/cyclin T inhibitor with an IC50 of 11 nM. It exhibits more potent activity over CDK4/cyclinD (148 nM) and CDK6/cyclinD (145 nM). The compound causes apoptosis in NSCLC cells, arrests the cell cycle in G2 phase, and inhibits cancer stem cells. It shows good inhibitory potency in drug-resistant H1975 cells (IC50 = 0.837 μM). CDK9-IN-7 displays anti-cancer activity without apparent toxicity.
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| Molecular Formula |
C29H37N7O2S
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|---|---|
| Molecular Weight |
547.714784383774
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| Exact Mass |
547.272
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| CAS # |
2369981-71-3
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| PubChem CID |
138911336
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
6.1
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
13
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| Heavy Atom Count |
39
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| Complexity |
838
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S=C=NCCCCCCCC(NC1C=CC(=CC=1)NC1=NC=C2C=C(C(N(C)C)=O)N(C2=N1)C1CCCC1)=O
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| InChi Key |
LLMKBTGLZJIAMY-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C29H37N7O2S/c1-35(2)28(38)25-18-21-19-31-29(34-27(21)36(25)24-10-7-8-11-24)33-23-15-13-22(14-16-23)32-26(37)12-6-4-3-5-9-17-30-20-39/h13-16,18-19,24H,3-12,17H2,1-2H3,(H,32,37)(H,31,33,34)
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| Chemical Name |
7-cyclopentyl-2-[4-(8-isothiocyanatooctanoylamino)anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
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| HS Tariff Code |
2934.99.9001
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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 : 62.5 mg/mL (114.11 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.80 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 20.8 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: ≥ 2.08 mg/mL (3.80 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 20.8 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 | 1.8258 mL | 9.1289 mL | 18.2578 mL | |
| 5 mM | 0.3652 mL | 1.8258 mL | 3.6516 mL | |
| 10 mM | 0.1826 mL | 0.9129 mL | 1.8258 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.
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