化学科研者一站式服务平台
化合物简介
Lumacaftor (VX-809) is a pharmaceutical drug that acts as a chaperone during protein folding and increases the number of CFTR proteins that are trafficked to the cell surface. It is available in a single pill with ivacaftor; the combination, lumacaftor/ivacaftor (brand name Orkambi), is used to treat people with cystic fibrosis who have the F508del mutation in the cystic fibrosis transmembrane conductance regulator (CFTR), the defective protein that causes the disease. It was developed by Vertex Pharmaceuticals and the combination was approved by the FDA in 2015. As of 2015 lumacaftor had no medical use on its own.
基本信息
CAS:936727-05-8
中文别名:
英文别名:VX-809;3-(6-{[1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarbonyl]-amino}-3-methyl-pyridin-2-yl)-benzoic acid;VX-809 (Lumacaftor);3-(6-(1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)-3-methylpyridin-2-yl)benzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methylpyridin-2-yl]benzoic acid;
分子式:C24H18F2N2O5
分子量:452.407
精确质量:452.118
Psa:97.75
Logp:4.82
中文别名:
英文别名:VX-809;3-(6-{[1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarbonyl]-amino}-3-methyl-pyridin-2-yl)-benzoic acid;VX-809 (Lumacaftor);3-(6-(1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)-3-methylpyridin-2-yl)benzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methylpyridin-2-yl]benzoic acid;
分子式:C24H18F2N2O5
分子量:452.407
精确质量:452.118
Psa:97.75
Logp:4.82
编号系统
UNII:EGP8L81APK
物化性质
密度:1.517g/cm3
沸点:653.013ºC at 760 mmHg
闪点:348.73ºC
折射率:1.67
沸点:653.013ºC at 760 mmHg
闪点:348.73ºC
折射率:1.67
安全信息
生产方法及用途
合成路线
上游原料
下游产品
图谱
13C NMR : Predict

1H NMR : Predict
