SAR348830 (SAR-348830; SAR 348830) is potent and selective inhibitor of anaplastic lymphoma kinase (ALK ) with the potential to be used for treating Non-small Cell Lung Cancer.
Physicochemical Properties
| Molecular Formula | C28H32FN5O3S |
| Molecular Weight | 537.648788452148 |
| Exact Mass | 537.221 |
| Elemental Analysis | C, 62.55; H, 6.00; F, 3.53; N, 13.03; O, 8.93; S, 5.96 |
| CAS # | 1462949-64-9 |
| Related CAS # | 1462949-64-9 |
| PubChem CID | 86698062 |
| Appearance | Light yellow to yellow solid powder |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 735.9±70.0 °C at 760 mmHg |
| Flash Point | 398.8±35.7 °C |
| Vapour Pressure | 0.0±2.5 mmHg at 25°C |
| Index of Refraction | 1.646 |
| LogP | 4.32 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 8 |
| Heavy Atom Count | 38 |
| Complexity | 747 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | S1C(CO)=C(C2C=C(C=CC=2OC)F)C2=C1C=NC(=N2)NC1C=CC(=CC=1OC(C)C)N1CCN(C)CC1 |
| InChi Key | SWRGFJBGNAEJOY-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C28H32FN5O3S/c1-17(2)37-23-14-19(34-11-9-33(3)10-12-34)6-7-21(23)31-28-30-15-24-27(32-28)26(25(16-35)38-24)20-13-18(29)5-8-22(20)36-4/h5-8,13-15,17,35H,9-12,16H2,1-4H3,(H,30,31,32) |
| Chemical Name | [7-(5-fluoro-2-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)-2-propan-2-yloxyanilino]thieno[3,2-d]pyrimidin-6-yl]methanol |
| Synonyms | SAR348830; SAR-348830; SAR 348830 |
| 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
| References |
[1]. Anticancer Res . 2017 Nov;37(11):6477-6480. |
Solubility Data
| Solubility (In Vitro) | DMSO: ~100 mg/mL (~186.0 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.65 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.8599 mL | 9.2997 mL | 18.5995 mL | |
| 5 mM | 0.3720 mL | 1.8599 mL | 3.7199 mL | |
| 10 mM | 0.1860 mL | 0.9300 mL | 1.8599 mL |