| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
|
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| Other Sizes |
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| Targets |
CDK7 53.5 nM (IC50) CDK7/Mat1/CycH 9.7 nM (IC50) CDK2 1300 nM (IC50) CDK9 3020 nM (IC50)
|
|---|---|
| ln Vitro |
G1- and G2/M-phase cell numbers rise while S-phase cell numbers decrease in a dose-dependent manner in response to YKL-5-124 (0-2000 nM; 72 hours; HAP1 cells) treatment[1]. ?In a concentration-dependent manner, YKL-5-124 (0-2000 nM; 24 hours; HAP1 WT cells) treatment suppresses the phosphorylation of CDK1 T-loop and, to a lesser extent, CDK2 T-loop[1]. ?The pull-down of CDK7-cyclin H is blocked when cells treated with YKL -5-124 as a competitor at a concentration of roughly 30 nM, but it has no effect on the pull-down of cyclin K-CDK12/13 in HAP1 cells. CDK7-cyclin H binding to bioTHZ1 is reduced by >50% after 30 minutes of treatment with 100 nM YKL-5 -124[1].
|
| Cell Assay |
Cell Cycle Analysis[1]
Cell Types: HAP1 cells Tested Concentrations: 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 Duration: 72 hrs (hours) Experimental Results: Caused a dose-dependent increase in G1- and G2/M-phase cells and a corresponding loss of S-phase cells. Western Blot Analysis[1] Cell Types: HAP1 WT cells Tested Concentrations: 0 nM, 125 nM, 250 nM, 500 nM, 1000 nM, 2000 nM Incubation Duration: 24 hrs (hours) Experimental Results: Inhibited CDK1 T-loop phosphorylation, and to a lesser extent CDK2 T-loop phosphorylation in a concentration-dependent fashion. |
| References |
| Molecular Formula |
C30H34F3N7O5
|
|---|---|
| Molecular Weight |
629.630076885223
|
| Exact Mass |
629.257
|
| CAS # |
2748220-93-9
|
| Related CAS # |
YKL-5-124;1957203-01-8
|
| PubChem CID |
146025947
|
| Appearance |
White to off-white solid powder
|
| Hydrogen Bond Donor Count |
5
|
| Hydrogen Bond Acceptor Count |
10
|
| Rotatable Bond Count |
8
|
| Heavy Atom Count |
45
|
| Complexity |
948
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
C(F)(F)(F)C(=O)O.N(C1=NNC2C(C)(C)N(C(=O)N[C@@H](C3C=CC=CC=3)CN(C)C)CC1=2)C(C1C=CC(NC(=O)C=C)=CC=1)=O
|
| InChi Key |
CPYGDECNKKKQGE-VZYDHVRKSA-N
|
| InChi Code |
InChI=1S/C28H33N7O3.C2HF3O2/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;3-2(4,5)1(6)7/h6-15,22H,1,16-17H2,2-5H3,(H,29,36)(H,30,38)(H2,31,32,33,37);(H,6,7)/t22-;/m1./s1
|
| 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;2,2,2-trifluoroacetic acid
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO: ≥ 100 mg/mL (158.82 mM)
H2O: 50 mg/mL (79.41 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (3.97 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 (3.97 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 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: ≥ 2.5 mg/mL (3.97 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 50 mg/mL (79.41 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.5882 mL | 7.9412 mL | 15.8823 mL | |
| 5 mM | 0.3176 mL | 1.5882 mL | 3.1765 mL | |
| 10 mM | 0.1588 mL | 0.7941 mL | 1.5882 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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