Physicochemical Properties
| Molecular Formula | C22H23N3O3 |
| Molecular Weight | 377.436325311661 |
| Exact Mass | 377.173 |
| CAS # | 2260826-16-0 |
| PubChem CID | 165412585 |
| Appearance | White to off-white solid powder |
| LogP | 1.6 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 28 |
| Complexity | 563 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | N1C2=C(C=C(C(NCCO)=O)C=C2)C2CCN(C(CC3=CC=CC=C3)=O)CC1=2 |
| InChi Key | GVWIQMYLHREBIR-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C22H23N3O3/c26-11-9-23-22(28)16-6-7-19-18(13-16)17-8-10-25(14-20(17)24-19)21(27)12-15-4-2-1-3-5-15/h1-7,13,24,26H,8-12,14H2,(H,23,28) |
| Chemical Name | N-(2-hydroxyethyl)-2-(2-phenylacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide |
| 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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 | USP15-IN-1 (compound IM001) has strong antiproliferative action against leukemia cells and non-small cell lung cancer at concentrations of 0.001–5 μM over a 48-hour period [1]. |
| Cell Assay |
Cell Proliferation Assay[1] Cell Types: Non-Small Cell Lung Cancer and Leukemia Cells Tested Concentrations: 0.001 μM, 0.005 μM, 0.01 μM, 0.05 μM, 0.1 μM, 0.5 μM, 1 and 5 μM Incubation Duration: 48 h Experimental Results: Shown for non-small cell lung cancer Small cell lung cancer and leukemia cells have high anti-proliferative activity with IC50 of 1.94 μM and 2.22 μM respectively. |
| References |
[1]. The tetrahydro-beta-carboline micromolecular organic compound and its derivative and medical usage of a kind of hydroxyl substitution. CN108727370A. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~264.94 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 0.83 mg/mL (2.20 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 8.3 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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: 0.83 mg/mL (2.20 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 8.3 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: ≥ 0.83 mg/mL (2.20 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 8.3 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 | 2.6494 mL | 13.2471 mL | 26.4943 mL | |
| 5 mM | 0.5299 mL | 2.6494 mL | 5.2989 mL | |
| 10 mM | 0.2649 mL | 1.3247 mL | 2.6494 mL |