HDAC8-IN-1 is a novel and potent HDAC8 inhibitor with an IC50 of 27.2 nM. HDAC8-IN-1 exhibits antiproliferative properties towards A549, H1299, and CL1-5 human lung cancer cell lines.
Physicochemical Properties
| Molecular Formula | C22H19NO3 |
| Molecular Weight | 345.391165971756 |
| Exact Mass | 345.14 |
| Elemental Analysis | C, 76.50; H, 5.54; N, 4.06; O, 13.90 |
| CAS # | 1417997-93-3 |
| Related CAS # | 1417997-93-3 |
| PubChem CID | 70676597 |
| Appearance | White to off-white solid powder |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 26 |
| Complexity | 464 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | ASHPRZYGCOMVHO-WYMLVPIESA-N |
| InChi Code | InChI=1S/C22H19NO3/c1-26-20-13-11-19(12-14-22(24)23-25)21(15-20)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-15,25H,1H3,(H,23,24)/b14-12+ |
| Chemical Name | (E)-N-hydroxy-3-[4-methoxy-2-(4-phenylphenyl)phenyl]prop-2-enamide |
| Synonyms | HDAC8-IN-1; HDAC8-IN 1 |
| HS Tariff Code | 2934.99.9001 |
| 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) |
Biological Activity
| Targets | HDAC8 (IC50 = 27.2 nM) |
| ln Vitro | HDAC8-IN-1 is a HDAC8 inhibitor with an IC50 of 27.2 nM in cancer cell lines. HDAC8-IN-1 (compound 22 d) demonstrates cytotoxicity against human lung CL1-5 cells without appreciable cytotoxicity for normal IMR-90 cells. HDAC8-IN-1 has antiproliferative effects toward several human lung cancer cell lines (A549, H1299, and CL1-5)[1]. |
| References |
[1]. Synthesis and biological evaluation of ortho-aryl N-hydroxycinnamides as potent histone deacetylase (HDAC) 8 isoform-selective inhibitors. ChemMedChem. 2012 Oct;7(10):1815-24. |
Solubility Data
| Solubility (In Vitro) | DMSO: ~50 mg/mL (~144.8 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.24 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 (7.24 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (7.24 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 25.0 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 | 2.8953 mL | 14.4764 mL | 28.9528 mL | |
| 5 mM | 0.5791 mL | 2.8953 mL | 5.7906 mL | |
| 10 mM | 0.2895 mL | 1.4476 mL | 2.8953 mL |