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化合物简介
Maraviroc (brand-named Selzentry, or Celsentri outside the U.S.) is an antiretroviral drug in the CCR5 receptor antagonist class used in the treatment of HIV infection. It is also classed as an entry inhibitor. It also appeared to reduce graft-versus-host disease in patients treated with allogeneic bone marrow transplantation for leukemia, in a phase 1/2 study.
基本信息
CAS:376348-65-1
中文别名:马拉韦罗;马拉韦若;4,4-二氟-N-[(1S)-3-[(1R,5S)-3-(3-甲基-5-异丙基-1,2,4-三唑-4-基)-8-氮杂双环[3.2.1]辛烷-8-基]-1-苯基丙基]环己烷-1-甲酰胺;
英文别名:Selzentry;Celsentri;maroviroc;4,4-Difluoro-N-[(1S)-3-{(1R,3s,5S)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-phenylpropyl]cyclohexanecarboxamide;4,4-difluoro-N-((S)-3-((1R,3S,5S)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexane-1-carboxamide;4,4-Difluoro-N-[(1S)-3-[(3-exo)-3-[3-methyl-5-(1-methylethyl-d6)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl]cyclohexanecarboxamide;UK 427857;
分子式:C29H41F2N5O
分子量:513.666
精确质量:513.328
Psa:63.05
Logp:6.2797
中文别名:马拉韦罗;马拉韦若;4,4-二氟-N-[(1S)-3-[(1R,5S)-3-(3-甲基-5-异丙基-1,2,4-三唑-4-基)-8-氮杂双环[3.2.1]辛烷-8-基]-1-苯基丙基]环己烷-1-甲酰胺;
英文别名:Selzentry;Celsentri;maroviroc;4,4-Difluoro-N-[(1S)-3-{(1R,3s,5S)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-phenylpropyl]cyclohexanecarboxamide;4,4-difluoro-N-((S)-3-((1R,3S,5S)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexane-1-carboxamide;4,4-Difluoro-N-[(1S)-3-[(3-exo)-3-[3-methyl-5-(1-methylethyl-d6)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl]cyclohexanecarboxamide;UK 427857;
分子式:C29H41F2N5O
分子量:513.666
精确质量:513.328
Psa:63.05
Logp:6.2797
编号系统
UNII:MD6P741W8A
物化性质
外观与性状:棕色固体
密度:1.29 g/cm3
熔点:79-81ºC
折射率:1.627
密度:1.29 g/cm3
熔点:79-81ºC
折射率:1.627
安全信息
海关编码:2934999090
生产方法及用途
合成路线
上游原料
下游产品
图谱
Predict 1H proton NMR
