磷坦姆沙韦(864953-29-7,BMS-663068,Fostemsavir)是开发用于治疗HIV-1感染的HIV-1附着抑制剂。它是BMS-626529的前药,它与病毒包膜糖蛋白gp120结合并干扰病毒与细胞CD4受体的附着
中文别名 | 磷坦姆沙韦,(3-((4-苄基-1-哌嗪基)(氧代)乙酰基)-4-甲氧基-7-(3-甲基-1H-1,2,4-三唑-1-基)-1H-吡咯并(2 ,3-c)吡啶-1-基)甲基磷酸二氢;1,2-乙二酮,1-(4-苯甲酰基-1-哌嗪基)-2-(4-甲氧基-7-(3-甲基-1H-1,2,4-三唑-1-基)-1-( (膦酰氧基)甲基)-1H-吡咯并(2,3-c)吡啶-3-基)-; |
英文别名 | Fostemsavir,BMS-663068; BMS 663068;BMS663068;(3-((4-Benzoyl-1-piperazinyl)(oxo)acetyl)-4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo(2,3-c)pyridin-1-yl)methyl dihydrogen phosphate;1,2-Ethanedione, 1-(4-benzoyl-1-piperazinyl)-2-(4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1-((phosphonooxy)methyl)-1H-pyrrolo(2,3-c)pyridin-3-yl)-; |
CAS号 | 864953-29-7 |
SMILES | CC1 = NN(C = N1)C2 = NC = C(C3 = C2N(C = C3C(= O)C(= O)N4CCN(CC4)C(= O)C5 = CC = CC = C5)COP(= O)(O |
Inchi | InChI = 1S / C25H26N7O8P / c1-16-27-14-32(28-16)23-21-20(19(39-2)12-26-23)18(13-31(21)15-40- 41(36,37)38)22(33)25(35)30-10-8-29(9-11-30)24(34)17-6-4-3-5-7-17 / h3- 7,12-14H,8-11,15H2,1-2H3,(H2,36,37,38) |
InchiKey | SWMDAPWAQQTBOG-UHFFFAOYSA-N |
分子式 Formula | C25H26N7O8P |
分子量 Molecular Weight | 583.49 |
闪点 FP | 500.6±37.1°摄氏度 |
沸点 Boiling point | 760毫米汞柱时为904.1±75.0℃ |
密度 Density | 1.6±0.1克/厘米3 |
蒸汽压 Vapor Pressure | 25℃时为0.0±0.3 mmHg |
溶解度Solubility | 生物体外In Vitro:DMSO溶解度≥ 100 mg/mL(171.38 mM)H2O : 20 mg/mL(34.28 mM;Need ultrasonic)*"≥" 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℃ 3 years年 4℃ 2 years年 / In solvent溶液中:-80℃ 6 months月 -20℃ 1 month月 |