(S)-6-[(3,5-Dimethyl-1H-pyrazol-4-yl)methyl]-5-[(4-hydroxyisoxazolidin-2-yl)carbonyl]-1-isobutyl-3-methylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
- Product Name(S)-6-[(3,5-Dimethyl-1H-pyrazol-4-yl)methyl]-5-[(4-hydroxyisoxazolidin-2-yl)carbonyl]-1-isobutyl-3-methylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
- CAS496791-37-8
- MFC21H27N5O5S
- MW461.53
- EINECS
- MOL File496791-37-8.mol
Chemical Properties
| Melting point | 198-202∶C |
| Boiling point | 763.1±70.0 °C(Predicted) |
| Density | 1.395 |
| storage temp. | Store at -20°C |
| solubility | insoluble in H2O; ≥52.5 mg/mL in DMSO; ≥57.8 mg/mL in EtOH |
| form | solid |
| pka | 13.53±0.20(Predicted) |
| color | White |
| InChI | 1S/C21H27N5O5S/c1-10(2)7-25-20-17(18(28)24(5)21(25)30)16(19(29)26-8-13(27)9-31-26)15(32-20)6-14-11(3)22-23-12(14)4/h10,13,27H,6-9H2,1-5H3,(H,22,23)/t13-/m0/s1 |
| InChIKey | ISIVOJWVBJIOFM-ZDUSSCGKSA-N |
| SMILES | [s]1c2[n]([c]([n]([c](c2c(c1Cc4c([nH]nc4C)C)C(=O)N3OC[C@H](C3)O)=O)C)=O)CC(C)C |