多拉韦林Doravirine(1338225-97-0,MK-1439)是HIV-1非核苷逆转录酶抑制剂,对野生型以及K103N和Y181C逆转录酶突变体的IC
50 值分别为4.5 nM,5.5 nM和6.1 nM。
中文别名 | 多拉韦林,MK-1439,皮菲特罗,3-氯-5-((1-((4-甲基-5-氧代-4,5-二氢-1H-1,2,4-三唑-3-基)甲基)-2 -氧代-4-(三氟甲基)-1,2-二氢吡啶-3-基氧基)苄腈; |
英文别名 | Doravirine,DORAVIRINE,MK-1439,Pifeltro,3-Chloro-5-((1-((4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl)oxy)benzonitrile; |
CAS号 | 1338225-97-0 |
SMILES | CN1C(= NNC1 = O)CN2C = CC(= C(C2 = O)OC3 = CC(= CC(= C3)C#N)Cl)C(F)(F)F |
Inchi | InChI = 1S / C17H11ClF3N5O3 / c1-25-13(23-24-16(25)28)8-26-3-2-12(17(19,20)21)14(15(26)27)29- 11-5-9(7-22)4-10(18)6-11 / h2-6H,8H2,1H3,(H,24,28) |
InchiKey | ZIAOVIPSKUPPQW-UHFFFAOYSA-N |
分子式 Formula | C17H11ClF3N5O3 |
分子量 Molecular Weight | 425.75 |
密度 Density | 1.6±0.1克/厘米3 |
溶解度Solubility | 生物体外In Vitro:DMSO溶解度≥ 30 mg/mL(70.46 mM)*"≥" means soluble可溶, but saturation unknown溶解度未知. |
性状 | 固体粉末,Power |
储藏条件 Storage conditions | -20℃冰柜 |