Physicochemical Properties
| Molecular Formula | C29H27CLN6O2S |
| Exact Mass | 558.16 |
| CAS # | 2763872-32-6 |
| Related CAS # | 2763872-32-6 |
| PubChem CID | 171042968 |
| Appearance | White to off-white solid |
| LogP | 3.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 39 |
| Complexity | 1030 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | MYEHDMPQKCCTGD-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C29H27ClN6O2S/c1-2-34-12-5-25(37)36(28(34)38)16-21-15-24-27(39-21)22(3-8-33-24)23-14-20(30)13-19-4-11-35(26(19)23)18-29(17-31)6-9-32-10-7-29/h3-5,8,11-15,32H,2,6-7,9-10,16,18H2,1H3 |
| Chemical Name | 4-[[5-chloro-7-[2-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]indol-1-yl]methyl]piperidine-4-carbonitrile |
| Synonyms | USP7-IN-11 |
| 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 | USP7-IN-11 (Example 187; 72 hours) suppresses the growth of RS4;11 cells with an IC50 of 1.23 nM [1]. |
| References |
[1]. Usp7 inhibitor. WO2022048498A1. |
Solubility Data
| Solubility (In Vitro) | DMSO: ~130 mg/mL (~232.5 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 3.25 mg/mL (5.81 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 32.5 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: ≥ 3.25 mg/mL (5.81 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 32.5 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. (Please use freshly prepared in vivo formulations for optimal results.) |