| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| 50mg |
|
||
| 100mg |
|
||
| 250mg | |||
| 500mg | |||
| Other Sizes |
| Targets |
Histone methyltransferase SET7 (SETD7). DC-S239 is a selective inhibitor of SET7 with an IC50 of 4.59 μM. SET7 is a histone lysine methyltransferase that catalyzes the monomethylation of histone H3 at lysine 4 (H3K4me1), a mark associated with transcriptional activation. DC-S239 shows selectivity over other methyltransferases and epigenetic enzymes.
|
|---|---|
| ln Vitro |
At a dose of 100 μM, DC-S239 inhibits DNMT1, DOT1L, EZH2, NSD1, SETD8, and G9a by less than 45%, while SET7's inhibition rate surpasses 90% [1]. DC-S239 (0-100 μM, 120 h) has no discernible effect on the activity of HCT116 and DHL4 cells, but it can dose-dependently inhibit the proliferation of MCF7, HL60, and MV4-11 cells [1].
DC-S239 (0-100 μM, 120 h) dose-dependently inhibits proliferation of MCF7, HL60, and MV4-11 cells. The IC50 values for MCF7 and HL60 cells are 10.93 μM and 16.43 μM, respectively. However, DC-S239 has no significant effect on the viability of HCT116 and DHL4 cells. At 100 μM, DC-S239 inhibits SET7 by 90% while inhibiting DNMT1, DOT1L, EZH2, NSD1, SETD8, and G9a by less than 45%. |
| ln Vivo |
DC-S239 has shown anticancer activity in vitro. In vivo efficacy studies have not been extensively reported. The compound's selective inhibition of SET7 and its effects on cancer cell proliferation suggest potential for in vivo anticancer activity. Further studies are needed to evaluate the pharmacokinetic properties and therapeutic efficacy of DC-S239 in animal models.
|
| Enzyme Assay |
In vitro enzyme inhibition assays for DC-S239 are performed using purified recombinant SET7 enzyme and a suitable histone substrate (e.g., histone H3 or a peptide derived from the N-terminus of histone H3). The assay measures the transfer of 3H-methyl groups from S-adenosyl-[3H]methionine (SAM) to the substrate. DC-S239 is incubated at varying concentrations, and enzymatic activity is quantified by scintillation counting or using fluorescence-based detection methods. IC50 values are calculated from dose-response curves.
|
| Cell Assay |
Cell viability assay [1]
Cell Types: MCF7, HL60, DHL4, MV4-11 and HCT116 Cell line Tested Concentrations: 0-100 μM Incubation Duration: 120 h Experimental Results: Inhibition of MCF7 and HL60 with IC50 values of 10.93 μM and 16.43 μM, respectively . Cellular assays are conducted using cancer cell lines such as MCF7 (breast cancer), HL60 (acute myeloid leukemia), MV4-11 (leukemia), HCT116 (colorectal cancer), and DHL4 (lymphoma). Cells are treated with DC-S239 at concentrations ranging from 0 to 100 μM for 120 hours. Cell viability is assessed using MTT, CCK-8, or CellTiter-Glo assays. IC50 values for cell proliferation inhibition are calculated. The selectivity of DC-S239 is confirmed by testing against a panel of other methyltransferases. |
| Animal Protocol |
In vivo animal studies for DC-S239 have not been extensively reported in the literature. For potential in vivo studies, immunodeficient mice bearing tumor xenografts of sensitive cancer cell lines (e.g., MCF7 or HL60) could be used. DC-S239 would be administered via intraperitoneal or oral routes at various doses, and tumor volume would be monitored. Pharmacodynamic studies would assess SET7 inhibition in tumor tissues by measuring H3K4me1 levels.
|
| ADME/Pharmacokinetics |
DC-S239 has a molecular weight of 349.36 and molecular formula C15H15N3O5S. It is soluble in DMSO (125 mg/mL, 357.80 mM). The compound should be stored as powder at -20°C for 3 years or at 4°C for 2 years. In solvent, it is stable at -80°C for 6 months or at -20°C for 1 month. Stock solutions should be aliquoted to avoid repeated freeze-thaw cycles.
|
| Toxicity/Toxicokinetics |
Toxicological data for DC-S239 are primarily derived from in vitro cell viability assays. At concentrations up to 100 μM, DC-S239 shows differential effects on various cancer cell lines, with some lines being more sensitive than others. Standard laboratory safety precautions should be followed when handling DC-S239. No specific acute toxicity data have been reported in animal studies.
|
| References | |
| Additional Infomation |
DC-S239 is a research-use only compound and has not yet entered clinical trials. It is a selective inhibitor of histone methyltransferase SET7 with anticancer activity. DC-S239 represents a valuable chemical probe for studying the role of SET7-mediated histone methylation in cancer biology and for validating SET7 as a potential therapeutic target. The compound was identified through pharmacophore- and docking-based virtual screening. It is supplied as a high-purity solid for research use.
|
| Molecular Formula |
C15H15N3O5S
|
|---|---|
| Molecular Weight |
349.36
|
| Exact Mass |
349.073
|
| Elemental Analysis |
C, 51.57; H, 4.33; N, 12.03; O, 22.90; S, 9.18
|
| CAS # |
303141-21-1
|
| Related CAS # |
303141-21-1;
|
| PubChem CID |
2258873
|
| Appearance |
Yellow to orange solid powder
|
| LogP |
3.4
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
7
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
24
|
| Complexity |
498
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])N
|
| InChi Key |
SIVTXLSKYVOFHS-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C15H15N3O5S/c1-3-23-15(20)11-8(2)12(24-13(11)16)14(19)17-9-5-4-6-10(7-9)18(21)22/h4-7H,3,16H2,1-2H3,(H,17,19)
|
| Chemical Name |
ethyl 2-amino-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate
|
| Synonyms |
DCS239; DC S239; DC-S239
|
| HS Tariff Code |
2934.99.03.00
|
| 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)
|
| Solubility (In Vitro) |
DMSO : ~125 mg/mL (~357.80 mM)
|
|---|---|
| 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 | 2.8624 mL | 14.3119 mL | 28.6238 mL | |
| 5 mM | 0.5725 mL | 2.8624 mL | 5.7248 mL | |
| 10 mM | 0.2862 mL | 1.4312 mL | 2.8624 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
