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| Targets |
SKLB325 targets JMJD6 (Jumonji domain-containing 6). It is an inhibitor with a binding affinity (KD) of 0.755 μM and an IC50 of 0.7797 μM. JMJD6 is a 2-oxoglutarate-dependent oxygenase implicated in oncogenic transcriptional regulation and poor prognosis in multiple cancer types.
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| ln Vitro |
By blocking proliferation and inducing apoptosis and cell death, SKLB325 inhibits the growth of ovarian cancer. It is possible that blocking angiogenesis also significantly slows the growth of tumors[1]. Ovarian cancer cell proliferation is significantly inhibited in vitro by SKLB325 (0.25-2.25 μM; for 24-72 h). Additionally, 4 μM is the most effective concentration at which JMJD6 suppressed the development of SKOV3 cells, and 72 hours is the ideal duration of action[1]. In vitro, SKLB325 increases p53 and its downstream effectors' expression at both the mRNA and protein levels[1].
In vitro, SKLB325 is a JMJD6 inhibitor with a KD of 0.755 μM and an IC50 of 0.7797 μM. It has antitumor effects against ovarian cancer in vitro and causes apoptosis. It was identified through structure-based virtual screening as a JMJD6 inhibitor. |
| ln Vivo |
In an intraperitoneal xenograft model, SKLB325 (10 mg/kg) has anticancer activity. Tumor-bearing mice live longer thanks to SKLB325 without experiencing any noticeable adverse effects. SKOV3, ES2, CP70, and A2780 tumor growth were all effectively suppressed in nude mice by SKLB325 treatment protocols[1].
In vivo, SKLB325 has antitumor effects against ovarian cancer. It causes apoptosis. It also shows significant antitumor efficacy in renal cell carcinoma (RCC). Specific in vivo activity data are not detailed in the search results. |
| Enzyme Assay |
Non-cellular enzyme assays for SKLB325 involve measuring its inhibitory activity against JMJD6. The compound is incubated with the enzyme and a substrate, and the inhibition of demethylase activity is quantified to determine the IC50 value. Binding affinity (KD) can be assessed using surface plasmon resonance (SPR).
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| Cell Assay |
Cell Proliferation Assay[1]
Cell Types: SKOV3, ES2, A2780s and CP70 cells Tested Concentrations: 0, 0.25, 0.5, 1, 2, 4, 8, and 16 μM Incubation Duration: 24 h, 48 h, and 72 h Experimental Results: With increasing SKLB325 concentration, the inhibitory effect also increased, exhibiting a significant dose-response relationship. There was a significant difference between the drug group across different doses and the control group. Western Blot Analysis[1] Cell Types: SKOV3, ES2 and A2780s cells Tested Concentrations: 4 μM Incubation Duration: 72 hrs (hours) Experimental Results: p53, p21, and PUMA protein levels were Dramatically upregulated in SKOV3, ES2 and A2780s cells. In vitro cellular assays for SKLB325 are performed using ovarian cancer cell lines. Cells are treated with the compound, and its effects on cell viability, proliferation, and apoptosis are assessed. |
| Animal Protocol |
Animal/Disease Models: Female athymic BALB/c nude mice[1]
Doses: 10 mg/kg Route of Administration: Ip injections every three days for eight doses total Experimental Results: The average weight of intraperitoneal (ip)tumor nodules was 1.56 ± 0.70, 1.04 ± 0.62, and 0.14 ± 0.11 g in the control, vehicle and SKLB325 groups, respectively. Tumor weight was Dramatically decreased by 91 and 86% in the SKLB325 groups compared to the control and vehicle groups, respectively. In vivo animal experiments for SKLB325 would be conducted in mouse xenograft models using ovarian cancer cell lines. The compound would be administered via appropriate routes, and tumor growth inhibition and apoptosis in tumor tissues would be assessed. |
| ADME/Pharmacokinetics |
SKLB325 has a molecular formula of C12H12N4O2 and a molecular weight of 244.25. Its CAS number is 66680-03-3. The SMILES is OC1=NC(N/N=C/C2=CC=CC=C2O)=NC(C)=C1.
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| Toxicity/Toxicokinetics |
Toxicological data for SKLB325 are not detailed in the search results.
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| References |
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| Additional Infomation |
SKLB325 is a JMJD6 inhibitor with a KD of 0.755 μM and an IC50 of 0.7797 μM. It has antitumor effects against ovarian cancer in vitro and in vivo and causes apoptosis.
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| Molecular Formula |
C12H12N4O2
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| Molecular Weight |
244.25
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| Exact Mass |
244.096
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| CAS # |
66680-03-3
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| PubChem CID |
135460298
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| Appearance |
White to off-white solid powder
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| Density |
1.34g/cm3
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| Boiling Point |
407.9ºC at 760 mmHg
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| Flash Point |
200.5ºC
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| Index of Refraction |
1.654
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| LogP |
0.652
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
18
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| Complexity |
414
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=CC(=O)NC(=N1)N/N=C/C2=CC=CC=C2O
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| InChi Key |
XVDNTAIBZHGIAL-NTUHNPAUSA-N
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| InChi Code |
InChI=1S/C12H12N4O2/c1-8-6-11(18)15-12(14-8)16-13-7-9-4-2-3-5-10(9)17/h2-7,17H,1H3,(H2,14,15,16,18)/b13-7+
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| Chemical Name |
2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
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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 :~20.83 mg/mL (~85.28 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (8.52 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 (8.52 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 | 4.0942 mL | 20.4708 mL | 40.9417 mL | |
| 5 mM | 0.8188 mL | 4.0942 mL | 8.1883 mL | |
| 10 mM | 0.4094 mL | 2.0471 mL | 4.0942 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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