雷迪帕韦二丙酮合物(Ledipasvir diacetone,1502655-48-2)是Ledipasvir的活性成分. Ledipasvir是丙型肝炎病毒NS5A的抑制剂,针对GT1a的EC50值为34 pM,针对GT1b复制子的EC50值为4 pM。 仅供研究使用。
中文别名 | 雷迪帕韦二丙酮合物(cas:1502655-48-2),雷迪帕韦二丙酮; |
英文别名 | Ledipasvir diacetone(cas:1502655-48-2),Ledipasvir (diacetone),GS-5885 diacetone |
CAS号 | 1502655-48-2 |
SMILES | O=C(OC)N[C@H](C(N([C@H](C1=NC=C(C2=CC(C(F)(F)C3=C4C=CC(C5=CC=C6N=C([C@H]7N(C([C@@H](NC(OC)=O)C(C)C)=O)[C@]8([H])CC[C@@]7([H])C8)NC6=C5)=C3)=C4C=C2)N1)C9)CC%109CC%10)=O)C(C)C.CC(C)=O.CC(C)=O |
Inchi | InChI=1S/C49H54F2N8O6.2C3H6O/c1-24(2)39(56-46(62)64-5)44(60)58-23-48(15-16-48)21-38(58)42-52-22-37(55-42)28-9-13-32-31-12-8-26(18-33(31)49(50,51)34(32)19-28)27-10-14-35-36(20-27)54-43(53-35)41-29-7-11-30(17-29)59(41)45(61)40(25(3)4)57-47(63)65-6;2*1-3(2)4/h8-10,12-14,18-20,22,24-25,29-30,38-41H,7,11,15-17,21,23H2,1-6H3,(H,52,55)(H,53,54)(H,56,62)(H,57,63);2*1-2H3/t29-,30+,38-,39-,40-,41-;;/m0../s1 |
InchiKey | LXKDKHCANHWUPC-YGWQTYEPSA-N |
分子式 Formula | C55H66F2N8O8 |
分子量 Molecular Weight | 1005.16 |
性状 | Solid |
储藏条件 Storage conditions | 请根据产品建议的存储条件进行存储,Please store the product under the recommended condition sin the description. |