| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Targets |
CDK7-IN-2 targets Cyclin-Dependent Kinase 7 (CDK7), a serine/threonine kinase that plays a dual role in cell cycle regulation and transcriptional control. CDK7 is implicated in the temporal control of the cell cycle and transcriptional activity. It participates in the transcription initiation process by phosphorylation of the Rbp1 subunit of RNA Polymerase II (RNAPII). By inhibiting CDK7, the compound disrupts both cell cycle progression and transcription, making it a promising target for cancer research, particularly in aggressive and hard-to-treat cancers.
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| ln Vitro |
In vitro, CDK7-IN-2 is a potent inhibitor of CDK7. It is used to study the role of CDK7 in cell cycle regulation and transcriptional activity. The compound has shown potential in cancer biology research, particularly in studying aggressive and treatment-resistant tumor types. It is widely used to investigate transcriptional addiction and therapeutic resistance in cancer cells. The compound's ability to inhibit CDK7 makes it a valuable tool for developing transcription-targeted cancer therapies.
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| ln Vivo |
In vivo, CDK7-IN-2 has potential for the research of cancer disease, in particular aggressive and hard-to-treat cancers. However, specific in vivo efficacy data in animal models are not detailed in the available literature. The compound is primarily used as a research tool for in vitro studies to understand CDK7 biology and evaluate CDK7-targeted drug discovery.
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| Enzyme Assay |
The in vitro enzyme inhibition assay for CDK7-IN-2 involves measuring the kinase activity of CDK7 in the presence of the compound. CDK7 phosphorylates the Rbp1 subunit of RNA Polymerase II (RNAPII). Inhibition is assessed by quantifying the reduction in phosphorylation activity. Kinase assays typically use radiolabeled ATP or fluorescence-based detection methods to measure phosphate transfer to a substrate peptide. The compound's potency is determined by its IC₅₀ value against CDK7.
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| Cell Assay |
In vitro cell-based assays for CDK7-IN-2 involve treating cancer cell lines with the compound and assessing cell viability, proliferation, and transcriptional activity. The compound's effects on CDK7-dependent transcription are evaluated by measuring RNAPII phosphorylation and downstream gene expression. Cell cycle analysis is performed to determine the impact on cell cycle progression. The compound is used to study the effects of CDK7 inhibition on cancer cell lines, particularly those dependent on elevated transcriptional activity.
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| Animal Protocol |
In vivo animal studies for CDK7-IN-2 would likely involve xenograft mouse models of cancer, such as triple-negative breast cancer or acute myeloid leukemia. Tumor-bearing mice would be treated with CDK7-IN-2, and tumor growth inhibition would be monitored. The compound's ability to disrupt transcriptional regulation and cancer cell proliferation would be assessed in vivo. However, specific protocols are not detailed in the available literature.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of CDK7-IN-2 are not extensively detailed in the available literature. The compound is soluble in DMSO: 100 mg/mL (200.95 mM; Need ultrasonic). For storage, powder should be kept at 4°C, protected from light. Stock solutions in solvent should be stored at -80°C for up to 6 months or at -20°C for up to 1 month.
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| Toxicity/Toxicokinetics |
No specific toxicity data for CDK7-IN-2 are available in the provided literature. As a kinase inhibitor, potential off-target effects would need to be evaluated in preclinical studies. The compound is for research use only and not for human therapeutic applications. Standard laboratory safety precautions should be followed when handling.
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| References | |
| Additional Infomation |
CDK7-IN-2 is a research tool for studying the role of CDK7 in cancer, particularly aggressive and hard-to-treat cancers. It is a potent and selective inhibitor of CDK7. The compound is available for research purposes only. Its CAS number is 2326428-19-5. It is extracted from patent WO2019099298A1, compound 1. Further studies are needed to fully characterize its in vivo efficacy and pharmacokinetic profile.
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| Molecular Formula |
C26H39N7O3
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|---|---|
| Molecular Weight |
497.632965326309
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| Exact Mass |
497.311
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| CAS # |
2326428-19-5
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| Related CAS # |
CDK7-IN-2 hydrochloride hydrate;2326428-24-2;CDK7-IN-4;2326428-25-3
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| PubChem CID |
138608760
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| Appearance |
White to off-white solid powder
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| LogP |
2.6
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
36
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| Complexity |
784
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| Defined Atom Stereocenter Count |
1
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| SMILES |
O(C(N1CCC(CC1)NC1=CC(C)=NC2=C(C=NN12)C(C)C)=O)[C@@H]1CN(C(/C=C/CN(C)C)=O)CC1
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| InChi Key |
GRDAHPJRLCTJNA-BXKJMJEDSA-N
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| InChi Code |
InChI=1S/C26H39N7O3/c1-18(2)22-16-27-33-23(15-19(3)28-25(22)33)29-20-8-12-31(13-9-20)26(35)36-21-10-14-32(17-21)24(34)7-6-11-30(4)5/h6-7,15-16,18,20-21,29H,8-14,17H2,1-5H3/b7-6+/t21-/m0/s1
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| Chemical Name |
[(3S)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl] 4-[(5-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate
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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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 : ~100 mg/mL (~200.95 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.02 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0095 mL | 10.0476 mL | 20.0953 mL | |
| 5 mM | 0.4019 mL | 2.0095 mL | 4.0191 mL | |
| 10 mM | 0.2010 mL | 1.0048 mL | 2.0095 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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