Dasatinib Carboxylic Acid Ethyl Ester
Dasatinib Carboxylic Acid Ethyl Ester · ethyl 2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]acetate · 4-[6-[[5-[[(2-Chloro-6-Methylphenyl)aMino]carbonyl]-2-thiazolyl]aMino]-2-Methyl-4-pyriMidinyl]-1-piperazineacetic Acid Ethyl Ester · 1-Piperazineacetic acid, 4-[6-[[5-[[(2-chloro-6-methylphenyl)amino]carbonyl]-2-thiazolyl]amino]-2-methyl-4-pyrimidinyl]-, ethyl ester
Identifiers & Physical Properties
| CAS No. | 910297-62-0 |
|---|---|
| Molecular formula | C24H28ClN7O3S |
| Average molar mass | 530 g/mol |
| Monoisotopic mass | 529.16628644 g/mol |
| SMILES | CCOC(=O)CN1CCN(c2cc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(C)n2)CC1 |
| InChIKey | LTKNTZZGCSNLFZ-UHFFFAOYSA-N |
| PubChem CID | 57940725 |
| DTXSID | DTXSID60728430 |
Chemical & Physical Properties
| XLogP | 4.6 |
|---|---|
| Topological polar surface area | 141 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 10 |
| Rotatable bonds | 9 |
| Heavy atoms | 36 |
| Formal charge | 0 |
| Complexity | 744 |
| Melting point | 273-275°C |
| Density | 1.375±0.06 g/cm3(Predicted) |
| Storage conditions | Refrigerator |
| Solubility | DMSO (Slightly), Methanol (Slightly, Heated) |
| pKa (acidity coefficient) | 10.94±0.70(Predicted) |
| Physical state | Solid |
| Color | White to Off-White |
Applications & Uses
Uses
Protected Dasatinib Carboxylic Acid (D193605). An oxidative metabolite of Dasatinib (M6 metabolite); used in the treatment of cancers and immune diseases. It is a COVID19-related research product.
Uses
Protected Dasatinib Carboxylic Acid (D193605). Dasatinib Carboxylic Acid Ethyl Ester is an oxidative metabolite of Dasatinib (M6 metabolite); used in the treatment of cancers and immune diseases.