| Size | Price | Stock | Qty |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
CDK7 (IC50 = 53.5 nM); CDK7/Mat1/CycH (IC50 = 9.7 nM); CDK2 (IC50 = 1300 nM); CDK9 (IC50 = 3020 nM)
YKL-5-124 targets cyclin-dependent kinase 7 (CDK7), a key regulator of the cell cycle and transcription. It acts as a covalent inhibitor, forming an irreversible bond with the kinase. YKL-5-124 is highly selective for CDK7 over other CDKs, including CDK2, CDK9, CDK12, and CDK13. By inhibiting CDK7, it induces cell cycle arrest and inhibits E2F-driven gene expression. |
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| ln Vitro |
YKL-5-124 (0-2000 nM; 72 hours; HAP1 cells) treatment results in a dose-dependent decrease in S-phase cells and an increase in G1/M- and G2/G2-phase cells[1].
YKL-5-124 (0-2000 nM; 24 hours; HAP1 WT cells) treatment inhibits, in a concentration-dependent manner, the phosphorylation of the CDK1 T-loop and, to a lesser extent, the CDK2 T-loop[1]. In HAP1 cells, treatment with YKL-5-124 as a competitor at a concentration of roughly 30 nM inhibits the pull-down of CDK7-cyclin H but has no effect on the pull-down of cyclin K-CDK12/13. At 30 minutes, treatment with 100 nM YKL-5-124 decreases CDK7-cyclin H binding to bioTHZ1 by more than 50%[1]. In vitro, YKL-5-124 inhibits CDK7 and CDK7/Mat1/CycH with IC50 values of 53.5 nM and 9.7 nM, respectively. It shows IC50 values of 1300 nM for CDK2 and 3020 nM for CDK9, demonstrating >100-fold selectivity for CDK7. The compound induces strong cell cycle arrest and inhibits E2F-driven gene expression. |
| ln Vivo |
YKL-5-124 is a CDK7 inhibitor.
In vivo activity data for YKL-5-124 are not extensively detailed in the available sources. As a CDK7 inhibitor, it is being explored as a potential therapeutic agent for targeting transcriptionally addicted cancers. Specific in vivo efficacy data are not provided. |
| Enzyme Assay |
The in vitro enzyme assay for YKL-5-124 involves measuring the inhibition of CDK7 kinase activity. Recombinant CDK7/cyclin H/MNAT1 complex is incubated with a substrate peptide and ATP in the presence of varying compound concentrations. The IC50 value is determined by quantifying the reduction in substrate phosphorylation using techniques such as radioactive or fluorescence-based assays.
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| Cell Assay |
Cell Line: HAP1 cells
Concentration: 0 nM, 0.2 nM, 0.7 nM, 2 nM, 6.3 nM, 20 nM, 60 nM, 200 nM, 633.3 nM, 2000 nM Incubation Time: 72 hours Result: Caused a dose-dependent increase in G1- and G2/M-phase cells and a corresponding loss of S-phase cells. Cellular assays are performed using cancer cell lines. Cells are treated with YKL-5-124 at various concentrations, and cell cycle progression is assessed by flow cytometry. E2F-driven gene expression is measured by qPCR or reporter assays. CDK7 inhibition is confirmed by assessing the phosphorylation of CDK7 substrates, such as RNA polymerase II. |
| Animal Protocol |
NSG female mice
2.5 mg/kg i.p. In vivo animal studies for YKL-5-124 are not detailed in the available sources. The compound is being investigated for its potential therapeutic applications, but specific animal models and dosing regimens are not described. |
| ADME/Pharmacokinetics |
Pharmacokinetic data for YKL-5-124 are not available in the provided sources. The compound is a small molecule with a molecular weight of 515.62 g/mol. Specific PK parameters such as half-life, bioavailability, and clearance are not reported.
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| Toxicity/Toxicokinetics |
Toxicity data for YKL-5-124 are not reported in the available sources. As an investigational compound, it is used for research purposes only.
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| References | |
| Additional Infomation |
A highly selective covalent CDK7 inhibitor
YKL-5-124 is a research tool for studying CDK7 function in cell cycle regulation and transcription. It is a covalent inhibitor with high selectivity for CDK7. The compound is available from chemical suppliers for research use only. |
| Molecular Formula |
C28H33N7O3
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|---|---|
| Molecular Weight |
515.6067
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| Exact Mass |
515.264
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| Elemental Analysis |
C, 65.22; H, 6.45; N, 19.02; O, 9.31
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| CAS # |
1957203-01-8
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| Related CAS # |
YKL-5-124 TFA;2748220-93-9
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| PubChem CID |
121443990
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| Appearance |
White to off-white solid powder
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| LogP |
2
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
38
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| Complexity |
865
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC1(C2=C(CN1C(=O)N[C@H](CN(C)C)C3=CC=CC=C3)C(=NN2)NC(=O)C4=CC=C(C=C4)NC(=O)C=C)C
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| InChi Key |
KPABJHHKKJIDGX-JOCHJYFZSA-N
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| InChi Code |
InChI=1S/C28H33N7O3/c1-6-23(36)29-20-14-12-19(13-15-20)26(37)31-25-21-16-35(28(2,3)24(21)32-33-25)27(38)30-22(17-34(4)5)18-10-8-7-9-11-18/h6-15,22H,1,16-17H2,2-5H3,(H,29,36)(H,30,38)(H2,31,32,33,37)/t22-/m1/s1
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| Chemical Name |
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[[4-(prop-2-enoylamino)benzoyl]amino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
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| Synonyms |
YKL5-124; YKL-5124; YKL-5 124; YKL-5-124; YKL 5-124
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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: ~100 mg/mL (~194 mM)
Ethanol: ~100 mg/mL (~194 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.03 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 (4.03 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (4.03 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.9395 mL | 9.6973 mL | 19.3945 mL | |
| 5 mM | 0.3879 mL | 1.9395 mL | 3.8789 mL | |
| 10 mM | 0.1939 mL | 0.9697 mL | 1.9395 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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