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Purity: ≥98%
Nexturastat A (AG-CR1-3901), an aryl urea analog, is a novel, potent and selective inhibitor of histone deacetylase 6 (HDAC6) with potential anticancer activity. It shows >190-fold selectivity for HDAC6 over other HDACs and inhibits HDAC6 with an IC50 of 5 nM. Based on an aryl urea HDACI, structural modifications were used to develop it.
| Targets |
HDAC6 ( IC50 = 5.02 nM ); HDAC8 ( IC50 = 0.954 μM ); HDAC1 ( IC50 = 3.02 μM ); HDAC7 ( IC50 = 4.46 μM ); HDAC11 ( IC50 = 5.14 μM ); HDAC3 ( IC50 = 6.68 μM ); HDAC9 ( IC50 = 6.72 μM ); HDAC2 ( IC50 = 6.92 μM ); HDAC10 ( IC50 = 7.57 μM ); HDAC4 ( IC50 = 9.39 μM ); HDAC5 ( IC50 = 11.7 μM )
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| ln Vitro |
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| ln Vivo |
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| Enzyme Assay |
Human recombinant full-length HDAC1 and -6 are isolated and used in baculovirus expression systems in Sf9 cells by Reaction Biology Corp. to conduct HDAC inhibition assays. A substrate in the form of RHKKAc, an acetylated fluorogenic peptide derived from p53 residues 379–382, is employed. 127 mM NaCl, 2.7 mM KCl, 1 mM MgCl2, 1 mg/mL BSA, 50 mM Tris-HCl pH 8.0, and a final concentration of 1% DMSO make up the reaction buffer. Following a 5-to 10-minute preincubation period and a 2-hour incubation period at 30°C, compounds are added to the enzyme mixture in DMSO. To quench the reaction and produce fluorescence, respectively, trichostatin A and developer are added. In order to create a 10-dose plot, dose-response curves are created using three-fold serial dilutions beginning at 30 μM compound. The resulting plots are then used to calculate IC50 values, which are expressed as the average of the duplicate trials ± standard deviation.
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| Cell Assay |
B16 murine melanoma cells are plated in 96-well flat-bottom plates at 5000 cells per well. The medium is swapped out the next day for one that contains different HDACi concentrations or matched DMSO vehicle concentrations diluted in full medium, all done in triplicate. 48 hours are spent incubating the cells at 37°C with 5% CO2. According to the manufacturer's instructions, the density of metabolically active, viable cells is measured using a standard MTS assay. In summary, each well receives 20μL of reagent, which is then incubated for three hours at 37°C. Spectrophotometric measurements of absorbances at 490 nM are made after subtracting the background at 690 nM. After normalization, each value is given as a percentage of the medium control (100%).
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| References |
| Molecular Formula |
C19H23N3O3
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| Molecular Weight |
341.4
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| Exact Mass |
341.17
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| Elemental Analysis |
C, 66.84; H, 6.79; N, 12.31; O, 14.06
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| CAS # |
1403783-31-2
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| Related CAS # |
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| Appearance |
White solid powder
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| SMILES |
CCCCN(CC1=CC=C(C=C1)C(=O)NO)C(=O)NC2=CC=CC=C2
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| InChi Key |
JZWXMCPARMXZQV-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)
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| Chemical Name |
4-[[butyl(phenylcarbamoyl)amino]methyl]-N-hydroxybenzamide
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| Synonyms |
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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 |
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| 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) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.32 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 (7.32 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 (7.32 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9291 mL | 14.6456 mL | 29.2912 mL | |
| 5 mM | 0.5858 mL | 2.9291 mL | 5.8582 mL | |
| 10 mM | 0.2929 mL | 1.4646 mL | 2.9291 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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