Physicochemical Properties
Molecular Formula | C16H17N3O4 |
Molecular Weight | 315.32 |
Exact Mass | 315.12 |
CAS # | 1454902-97-6 |
PubChem CID | 71450111 |
Appearance | Off-white to pink solid powder |
LogP | 1.2 |
Hydrogen Bond Donor Count | 4 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 5 |
Heavy Atom Count | 23 |
Complexity | 397 |
Defined Atom Stereocenter Count | 0 |
SMILES | C(NO)(=O)C1=CC=C(CNC(NC2=CC=CC=C2OC)=O)C=C1 |
InChi Key | DZHNFBYCLJKJID-UHFFFAOYSA-N |
InChi Code | InChI=1S/C16H17N3O4/c1-23-14-5-3-2-4-13(14)18-16(21)17-10-11-6-8-12(9-7-11)15(20)19-22/h2-9,22H,10H2,1H3,(H,19,20)(H2,17,18,21) |
Chemical Name | N-hydroxy-4-[[(2-methoxyphenyl)carbamoylamino]methyl]benzamide |
Synonyms | Elevenostat; JB3-22 |
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 | HDAC11 ( IC50 = 0.235 μM ) |
References |
[1]. Histone/protein deacetylase 11 targeting promotes Foxp3+ Treg function. Sci Rep. 2017;7(1):8626. Published 2017 Aug 17. [2]. Plasma cell dependence on histone/protein deacetylase 11 reveals a therapeutic target in multiple myeloma. JCI Insight. 2021;6(24):e151713. Published 2021 Dec 22. |
Solubility Data
Solubility (In Vitro) | DMSO: ~250 mg/mL (~792.9 mM) |
Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.60 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 20.8 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: 2.08 mg/mL (6.60 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 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: ≥ 2.08 mg/mL (6.60 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 20.8 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 | 3.1714 mL | 15.8569 mL | 31.7138 mL | |
5 mM | 0.6343 mL | 3.1714 mL | 6.3428 mL | |
10 mM | 0.3171 mL | 1.5857 mL | 3.1714 mL |