Physicochemical Properties
| Molecular Formula | C19H16CLN3O3S |
| Molecular Weight | 401.87 |
| Exact Mass | 401.06 |
| CAS # | 928655-63-4 |
| PubChem CID | 15979284 |
| Appearance | Off-white to light brown solid powder |
| LogP | 3.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 27 |
| Complexity | 623 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | NC(C1C=C(C=C(C=1N)C1C=CC(S(=O)(N)=O)=CC=1)C1C=CC(Cl)=CC=1)=O |
| InChi Key | XJLFMRGTLRIXDT-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C19H16ClN3O3S/c20-14-5-1-11(2-6-14)13-9-16(18(21)17(10-13)19(22)24)12-3-7-15(8-4-12)27(23,25)26/h1-10H,21H2,(H2,22,24)(H2,23,25,26) |
| Chemical Name | 2-amino-5-(4-chlorophenyl)-3-(4-sulfamoylphenyl)benzamide |
| Synonyms | HPN01; HPN 01 |
| 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
| ln Vitro | Human PBMCs' LPS-stimulated production of TNF-α, IL-1β, and IL-6 is significantly suppressed by HPN-01 (pIC50=6.1, 6.4, and 5.7, respectively). In human lung fibroblast cells, HPN-01 also prevents TNF-α-induced NF-κB nuclear translocation (pIC50=5.7)[1]. With IC50 values of 1.71 μM and 3.43 μM, respectively, HPN-01 suppresses the expression of SREBP-1 and SREBP-2 in primary human hepatocytes that have been cultivated. The goal of HPN-01's development is to cure nonalcoholic fatty liver disease (NAFLD)[2]. |
| References |
[1]. The discovery of 2-amino-3,5-diarylbenzamide inhibitors of IKK-alpha and IKK-beta kinases. Bioorg Med Chem Lett. 2007 Jul 15;17(14):3972-7. [2]. Amino-aryl-benzamide compounds and methods of use thereof.WO2018204775A1. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~248.84 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.22 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 (6.22 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 (6.22 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 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 | 2.4884 mL | 12.4418 mL | 24.8837 mL | |
| 5 mM | 0.4977 mL | 2.4884 mL | 4.9767 mL | |
| 10 mM | 0.2488 mL | 1.2442 mL | 2.4884 mL |