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DC-U4106 is a novel USP8 inhibitor with anticancer activity. It inhibits USP8 with a Kdvalue of 4.7 μM and an IC50 value of 1.2 μM.
| ln Vitro |
DC-U4106 (1.2-45.2 μM) exhibits little activity against USP7 but inhibits USP8 and USP2 with IC50 values of 1.2 μM and 58.4 μM, respectively [1]. ERα and PR mRNA levels are decreased by DC-U4106 (0–7 μM, 24 hours) [1]. In addition to ERα and PR proteins, DC-U4106 (0-5 μM, 24 hours) can control the expression of proteins associated to the RTK pathway [1]. Cell growth can be inhibited and apoptosis can be induced by DC-U4106 (0-5 μM, 12 hours) [1].
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| ln Vivo |
DC-U4106 (intraperitoneal injection, 5 mg/kg or 20 mg/kg, every 2 days for 14 days) suppresses tumor development in BALB/c nude mice and has no significant effect on body weight, organ morphology and structure [1].
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| Cell Assay |
Western Blot Analysis[1]
Cell Types: USP8 positive cell line MCF-7 Tested Concentrations: 0-5 μM Incubation Duration: 24 hrs (hours) Experimental Results: As the concentration increases, the expression of EGFR, ErbB2 and ErbB3 proteins decreases, and causes ERα and ErbB3 Degradation of proteins. PR proteins. RT-PCR[1] Cell Types: USP8 positive cell line MCF-7 Tested Concentrations: 0-7 μM Incubation Duration: 24 hrs (hours) Experimental Results: The mRNA levels of ERα and PR were diminished. Cell proliferation assay[1] Cell Types: USP8 positive cell line MCF-7 Tested Concentrations: 0-5 μM Incubation Duration: Experimental Results: Inhibition of cell growth in a dose-dependent manner. Apoptosis analysis [1] Cell Types: USP8 positive cell line MCF-7 Tested Concentrations: 0-5 μM Incubation Duration: 12 hrs (hours) Experimental Results: As the concentration increases, the proportion of apoptotic cells increases. |
| Animal Protocol |
Animal/Disease Models: BALB/c nude mice [1]
Doses: 5mg/kg, 20mg/kg Route of Administration: intraperitoneal (ip) injection, once every 2 days for 14 days. Experimental Results: Tumor growth was Dramatically inhibited at the concentration of 20mg/kg. |
| References |
| Molecular Formula |
C29H27N5O5
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|---|---|
| Molecular Weight |
525.56
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| Exact Mass |
525.201
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| CAS # |
2410534-62-0
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| PubChem CID |
155301443
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| Appearance |
Yellow to brown solid powder
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| LogP |
4.6
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
39
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| Complexity |
889
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1(C2=CC=C(N3CCN(C4=NC=CC=C4)CC3)C=C2)OC2=C(OC3=C(C)NN=C3C)C(O)=CC(O)=C2C(=O)C=1
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| InChi Key |
VNWOJNLRTJFWRQ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C29H27N5O5/c1-17-27(18(2)32-31-17)39-28-23(37)15-21(35)26-22(36)16-24(38-29(26)28)19-6-8-20(9-7-19)33-11-13-34(14-12-33)25-5-3-4-10-30-25/h3-10,15-16,35,37H,11-14H2,1-2H3,(H,31,32)
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| Chemical Name |
8-[(3,5-dimethyl-1H-pyrazol-4-yl)oxy]-5,7-dihydroxy-2-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]chromen-4-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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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) |
THF : 10 mg/mL (~19.03 mM)
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.9027 mL | 9.5137 mL | 19.0273 mL | |
| 5 mM | 0.3805 mL | 1.9027 mL | 3.8055 mL | |
| 10 mM | 0.1903 mL | 0.9514 mL | 1.9027 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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