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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250mg |
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500mg |
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Other Sizes |
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Molecular Formula |
C13H13CLN2O3MOLECULARWEIGHT
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Molecular Weight |
280.71
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Exact Mass |
280.06
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Elemental Analysis |
C, 55.62; H, 4.67; Cl, 12.63; N, 9.98; O, 17.10
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CAS # |
757192-67-9
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PubChem CID |
5100616
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Appearance |
White to off-white solid powder
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Density |
1.351±0.06 g/cm3(Predicted)
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Boiling Point |
489.1±45.0 °C(Predicted)
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LogP |
1.3
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Hydrogen Bond Donor Count |
0
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Hydrogen Bond Acceptor Count |
4
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Rotatable Bond Count |
4
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Heavy Atom Count |
19
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Complexity |
368
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Defined Atom Stereocenter Count |
0
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SMILES |
0
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InChi Key |
GLDJSVHDOXCYPT-UHFFFAOYSA-N
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InChi Code |
InChI=1S/C13H13ClN2O3/c14-9-13(17)16(5-1-4-15)10-2-3-11-12(8-10)19-7-6-18-11/h2-3,8H,1,5-7,9H2
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Chemical Name |
2-chloro-N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
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Synonyms |
EN106; EN-106; EN 106
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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 : ~250 mg/mL (~890.60 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 | 3.5624 mL | 17.8120 mL | 35.6240 mL | |
5 mM | 0.7125 mL | 3.5624 mL | 7.1248 mL | |
10 mM | 0.3562 mL | 1.7812 mL | 3.5624 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.
(a, b) Screening a cysteine-reactive covalent ligand library in a fluorescence polarization assay with TAMRA-conjugated FNIP1562-591 degron with recombinant MBP-tagged FEM1B (a). FEM1B was pre-incubated with DMSO vehicle or covalent ligand (50 μM) for 1 h prior to addition of the TAMRA-conjugated degron (b). Data is in Table S1. (c) Structure of EN106 with covalent chloroacetamide handle in red. (d) Dose-response of EN106 inhibition of FEM1B and TAMRA-conjugated FNIP1 interaction assessed by fluorescence polarization expressed as percent fluorescence polarization compared to DMSO control. (e) Gel-based ABPP of EN106. 50 nM pure FEM1B protein was pre-treated with DMSO or EN106 for 30 min at room temperature prior to addition of IA-rhodamine (500 nM, 30 min) at room temperature, after which protein was resolved on SDS/PAGE and visualized by in-gel fluorescence. (f) Site of modification of EN106 on FEM1B. FEM1B was labeled with EN106 (50 μM) for 30 min, and FEM1B tryptic digests were analyzed by LC-MS/MS for the EN106 adduct. Data in (b) show average from n=2/group. Data in (d) shows individual data replicates from n=2-4/group. Data in (e) shows representative gel from n=3/group.[1].Discovery of a Covalent FEM1B Recruiter for Targeted Protein Degradation Applications. J Am Chem Soc. 2022;144(2):701-708. td> |
(a) Synthesis of NJH-2-030. (b) Dose-response of NJH-2-030 inhibition of FEM1B and TAMRA-conjugated FNIP1 interaction assessed by fluorescence polarization. (c, d) NJH-2-030 engagement of FEM1B in cells. HEK293T cells were treated with DMSO or NJH-2-030 (10 μM) for 4 h. Cell lysates were subjected to CuAAC with biotin picolyl azide, probe-modified proteins were avidin-enriched, eluted, and analyzed by SDS/PAGE and Western blotting for FEM1B or loading control GAPDH (c) or analyzed by TMT-based quantitative proteomic profiling (d). Data are from n=3/group. Proteins annotated and highlighted in red showed >2-fold enrichment with probe over DMSO with adjusted p-values=0.001 or p-values<0.001. (e, f) Flow cytometry analysis of GFP-FNIP1 degron levels compared to mCherry levels with EN106 treatment in HEK293T cells for 12 h with either basal levels of FEM1B or with transient FEM1B overexpression. Representative flow cytometry traces of DMSO and EN106 (20 μM) treatment groups shown in (e) and quantified data shown in (f). (g) EN106 inhibits oxygen consumption in HEK293T cells. HEK293T cells were treated with DMSO vehicle or EN106 (10 μM) for 16 h after which mitochondrial oxygen consumption was read out with MitoXpress Xtra reagent. Shown in (b, f, g) are individual biological replicate values and/or average ± sem for n=2-4/group. Significance in (f, g) is expressed as *p<0.05 compared to vehicle-treated controls in each group in (f) or compared to each paired control in (g).[1].Discovery of a Covalent FEM1B Recruiter for Targeted Protein Degradation Applications. J Am Chem Soc. 2022;144(2):701-708. td> |
(a) Synthesis of FEM1B-based BRD4 degrader NJH-1-106 linking EN106 to JQ1. (b) Degradation of BRD4 by NJH-1-106. NJH-1-106 was treated in HEK293T cells for 8 h and BRD4 and loading control GAPDH levels were detected by Western blotting. (c) Quantification of BRD4 degradation from experiment in (b) and 50 % degradation concentration value (DC50). Individual biological replicate values shown in (b) from n=2-4/group. Gel shown in (b) is representative of n=3 / group which are shown in (c). (d) Dose-response of NJH-1-106 inhibition of FEM1B and TAMRA-conjugated FNIP1 interaction assessed by fluorescence polarization expressed as percent fluorescence polarization compared to DMSO vehicle-treated control. (e) Time course of BRD4 degradation with NJH-1-106 treatment. HEK293T cells were treated with DMSO vehicle or NJH-1-106 (10 μM) for 0, 2, 4, 6, 8, and 10 h and BRD4 and loading control GAPDH levels were detected by Western blotting. Gel shown is representative of n=3 / group. (f) Quantification of BRD4 degradation shown in bar graph as average ± sem with individual biological replicate points shown from experiment designed in (e). Data shown in (c, d, f) are averages with sem in (f) and individual biological replicate values from n=2-4/group.[1].Discovery of a Covalent FEM1B Recruiter for Targeted Protein Degradation Applications. J Am Chem Soc. 2022;144(2):701-708. td> |