Physicochemical Properties
| Molecular Formula | C41H44CLN11O8S |
| Molecular Weight | 886.374965667725 |
| Exact Mass | 885.278 |
| CAS # | 2769753-64-0 |
| PubChem CID | 139444616 |
| Appearance | Off-white to light yellow solid powder |
| LogP | 3.5 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 16 |
| Heavy Atom Count | 62 |
| Complexity | 1660 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | NYBFKYHLTFWMOL-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C41H44ClN11O8S/c1-23-7-5-9-26(42)36(23)50-38(58)29-20-45-41(62-29)48-30-19-31(47-24(2)46-30)52-17-15-51(16-18-52)21-33(55)43-13-3-4-14-44-34(56)22-61-28-10-6-8-25-35(28)40(60)53(39(25)59)27-11-12-32(54)49-37(27)57/h5-10,19-20,27H,3-4,11-18,21-22H2,1-2H3,(H,43,55)(H,44,56)(H,50,58)(H,49,54,57)(H,45,46,47,48) |
| Chemical Name | N-(2-chloro-6-methylphenyl)-2-[[6-[4-[2-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butylamino]-2-oxoethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-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. |
| 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 | CSK[1] |
| References |
[1]. Mapping the Degradable Kinome Provides a Resource for Expedited Degrader Development. Cell. 2020 Dec 10;183(6):1714-1731.e10. |
Solubility Data
| Solubility (In Vitro) | DMSO: 50 mg/mL (56.41 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 5 mg/mL (5.64 mM) in 10% DMSO + 40% PEG300 +5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 50.0 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.1282 mL | 5.6410 mL | 11.2820 mL | |
| 5 mM | 0.2256 mL | 1.1282 mL | 2.2564 mL | |
| 10 mM | 0.1128 mL | 0.5641 mL | 1.1282 mL |