| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| 50mg |
|
||
| 100mg |
|
||
| Other Sizes |
| Targets |
Bavarostat targets histone deacetylase 6 (HDAC6). As a selective inhibitor, it binds to the active site of HDAC6 and inhibits its deacetylase activity. This leads to the accumulation of acetylated tubulin, affecting microtubule dynamics and cellular processes. It exhibits >80-fold selectivity over other HDACs.
|
|---|---|
| ln Vitro |
In vitro, Bavarostat inhibits HDAC6 with an IC50 of 60 nM (0.06 μM). It exhibits excellent HDAC6 selectivity (>80-fold over all other Zn-containing HDAC paralogues). It modulates tubulin acetylation selectively over histone acetylation. Its activity has been characterized in enzyme inhibition and cell-based assays.
|
| ln Vivo |
In vivo, Bavarostat has excellent brain penetrance. As an HDAC6 inhibitor, it can be used for research of cancers and central nervous system (CNS) disorders. It modulates tubulin acetylation in the brain. However, detailed pharmacokinetic and pharmacodynamic data in animal models are limited.
|
| Enzyme Assay |
In vitro HDAC6 inhibition assays are performed using purified HDAC6 enzyme and a fluorogenic substrate (e.g., Boc-Lys(Ac)-AMC). The assay buffer contains Tris-HCl, NaCl, and MgCl2. Bavarostat is incubated with the enzyme, and the reaction is initiated by adding the substrate. Fluorescence is measured at excitation/emission wavelengths of 355/460 nm. IC50 values are calculated.
|
| Cell Assay |
In vitro cell-based assays are performed using cancer cell lines or neuronal cells. Cells are treated with serial dilutions of Bavarostat. Acetylated tubulin and acetylated histone levels are assessed by Western blotting. Cell viability is assessed using MTT assays. The compound's selectivity for tubulin over histone acetylation is evaluated.
|
| Animal Protocol |
In vivo efficacy studies are conducted in animal models of cancer or CNS disorders. Bavarostat is administered via oral or intraperitoneal routes. Brain penetration is assessed by measuring compound levels in brain tissue. Biomarker analysis (acetylated tubulin, acetylated histone) is performed on tumor or brain tissues.
|
| References |
|
| Molecular Formula |
C20H27FN2O2
|
|---|---|
| Molecular Weight |
346.438988924026
|
| Exact Mass |
346.206
|
| CAS # |
2134109-20-7
|
| Related CAS # |
2134109-20-7;2168560-80-1 (18F-labeled);
|
| PubChem CID |
134812690
|
| Appearance |
Light yellow to yellow solid
|
| tPSA |
52.6
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
25
|
| Complexity |
471
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CN(CC1=C(C=C(C=C1)C(=O)NO)F)CC23CC4CC(C2)CC(C4)C3
|
| InChi Key |
IGZQZELTOHAHNW-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C20H27FN2O2/c1-23(11-17-3-2-16(7-18(17)21)19(24)22-25)12-20-8-13-4-14(9-20)6-15(5-13)10-20/h2-3,7,13-15,25H,4-6,8-12H2,1H3,(H,22,24)
|
| Chemical Name |
4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluoro-N-hydroxybenzamide
|
| 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)
|
| Solubility (In Vitro) |
DMSO: ~100 mg/mL (~288.7 mM; with ultrasonication)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.22 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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 (7.22 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 DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.8865 mL | 14.4325 mL | 28.8650 mL | |
| 5 mM | 0.5773 mL | 2.8865 mL | 5.7730 mL | |
| 10 mM | 0.2887 mL | 1.4433 mL | 2.8865 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.
Link: https://clinicaltrials.gov/ct2/show/NCT06371404
Conditions:Alcohol Use Disorder|Post Traumatic Stress DisorderProducts are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
