Pyrano[3,4-d][1,3]thiazin-2-amine, 8a-(2,4-difluorophenyl)-4-(fluoromethyl)-4,4a,5,6,8,8a-hexahydro-6-(3-methyl-5-isoxazolyl)-, (4S,4aR,6R,8aS)- 基本信息
| 中文名称 | Pyrano[3,4-d][1,3]thiazin-2-amine, 8a-(2,4-difluorophenyl)-4-(fluoromethyl)-4,4a,5,6,8,8a-hexahydro-6-(3-methyl-5-isoxazolyl)-, (4S,4aR,6R,8aS)- |
|---|---|
| 中文同义词 | 化合物 PF-06663195 |
| 英文名称 | Pyrano[3,4-d][1,3]thiazin-2-amine, 8a-(2,4-difluorophenyl)-4-(fluoromethyl)-4,4a,5,6,8,8a-hexahydro-6-(3-methyl-5-isoxazolyl)-, (4S,4aR,6R,8aS)- |
| 英文同义词 | Pyrano[3,4-d][1,3]thiazin-2-amine, 8a-(2,4-difluorophenyl)-4-(fluoromethyl)-4,4a,5,6,8,8a-hexahydro-6-(3-methyl-5-isoxazolyl)-, (4S,4aR,6R,8aS)-;PF-06663195 >=98% (HPLC);PF-06663195 |
| CAS号 | 1621585-22-5 |
| 分子式 | C18H18F3N3O2S |
| 分子量 | 397.41 |
| EINECS号 | |
| 相关类别 | |
| Mol文件 | 1621585-22-5.mol |
| 结构式 | ![Pyrano[3,4-d][1,3]thiazin-2-amine, 8a-(2,4-difluorophenyl)-4-(fluoromethyl)-4,4a,5,6,8,8a-hexahydro-6-(3-methyl-5-isoxazolyl)-, (4S,4aR,6R,8aS)- 结构式](CAS/20200611/GIF/1621585-22-5.gif) |
Pyrano[3,4-d][1,3]thiazin-2-amine, 8a-(2,4-difluorophenyl)-4-(fluoromethyl)-4,4a,5,6,8,8a-hexahydro-6-(3-methyl-5-isoxazolyl)-, (4S,4aR,6R,8aS)- 性质
| 沸点 | 554.1±60.0 °C(Predicted) |
|---|---|
| 密度 | 1.55±0.1 g/cm3(Predicted) |
| 储存条件 | room temp |
| 溶解度 | DMSO: 20mg/mL, clear |
| 形态 | powder |
| 酸度系数(pKa) | 3.59±0.70(Predicted) |
| 颜色 | white to beige |
| InChI | 1S/C18H18F3N3O2S/c1-9-4-15(26-24-9)14-6-12-16(7-19)27-17(22)23-18(12,8-25-14)11-3-2-10(20)5-13(11)21/h2-5,12,14,16H,6-8H2,1H3,(H2,22,23)/t12-,14+,16+,18+/m0/s1 |
| InChIKey | JIAYOIBUKDISBO-IYPIGGPWSA-N |
| SMILES | [H][C@@]12[C@@](CO[C@@H](C3=CC(C)=NO3)C2)(C4=CC=C(F)C=C4F)N=C(N)S[C@@H]1CF |
安全信息
| WGK Germany | WGK 3 |
|---|---|
| 存储类别 | 11 - 可燃固体 |
| 危险性类别 | 眼部刺激 类别2 经皮刺激 类别2 特异性靶器官毒性-一次接触，类别3 |