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匹莫苯丹 | 936727-05-8

匹莫苯丹
Lumacaftor
936727-05-8
C24H18F2N2O5
452.406933307648
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:匹莫苯丹结构式
匹莫苯丹价格
简介
Lumacaftor (VX-809; VRT 826809) 是 CFTR 调节剂,可纠正 CFTR 蛋白的折叠和运输。
名称和标识符
MDL MFCD16659051
InChIKey UFSKUSARDNFIRC-UHFFFAOYSA-N
Inchi 1S/C24H18F2N2O5/c1-13-5-8-19(27-20(13)14-3-2-4-15(11-14)21(29)30)28-22(31)23(9-10-23)16-6-7-17-18(12-16)33-24(25,26)32-17/h2-8,11-12H,9-10H2,1H3,(H,29,30)(H,27,28,31)
SMILES O=C(C1C=C(C2C(C)=CC=C(NC(C3(CC3)C3C=C4C(OC(O4)(F)F)=CC=3)=O)N=2)C=CC=1)O
别名信息
- 中文别名 -
  • 2-戊酰胺乙酸
  • 3-(6-(1-(2,2-二氟苯并[D][1,3]二氧杂环戊烯-5-基)环丙烷甲酰胺基)-3-甲基吡啶-2-基)苯甲酸
  • 3-(6-{[1-(2,2-二氟苯并[1,3]二氧代-5-基)-环丙烷羰基]-氨基}-3-甲基-吡啶-2-基)苯甲酸
  • 3-[6-[[[1-(2,2-二氟-1,3-苯并二氧戊环-5-基)环丙基]羰基]氨基]-3-甲基-2-吡啶基]苯甲酸
  • VX809 抑制剂
  • 鲁玛卡托
  • 匹莫苯丹
- 英文别名 -
  • 3-(6-(1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)-3-methylpyridin-2-yl)benzoic acid
  • VX-809 (Lumacaftor)
  • 3-(6-{[1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarbonyl]-amino}-3-methyl-pyridin-2-yl)benzoic acid
  • 3-(6-{[1-(2,2-Difluorobenzo[1,3]dioxol-5-yl)cyclopropanecarbonyl]-amino}-3-methyl-pyridin-2-yl)benzoic acid
  • 3-(6-{[1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarbonyl]-amino}-3-methyl-pyridin-2-yl)-benzoicacid
  • 3-[6-[[[1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid
  • VX 809
  • VX-809
  • Lumacaftor
  • VRT 826809
  • VX809
  • EGP8L81APK
  • 3-(6-{[1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarbonyl]-amino}-3-methyl-pyridin-2-yl)-benzoic acid
  • 3-(6-{[1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopr
  • 3-[6-[[[1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid (ACI)
  • 3-[6-[1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido]-3-methylpyridin-2-yl]benzoic acid
  • 3-[6-[[[1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)cyclopropyl]carbonyl]amino]-3-methylpyridin-2-yl]benzoic acid
物化性质
实验特性
沸点 653.013°C at 760 mmHg
密度 1.51
计算特性
氢键供体数量 2
氢键受体数量 8
可旋转化学键数量 5
重原子数量 33
复杂度 776
拓扑分子极性表面积 97.8
合成路线

合成路线:1 步

反应条件:
参考文献:
Preparation of 3-(pyridin-2-yl)benzoic acid and 4-oxo-1H-quinoline-3-carboxamide derivative and pharmaceutical compositions for the treatment of CFTR mediated diseases
, World Intellectual Property Organization, , ,

合成路线:1 步

参考文献:
Preparation of pyridinecarboxamides and their crystalline forms as modulators of CFTR
, World Intellectual Property Organization, , ,

合成路线:1 步

反应条件:
参考文献:
Process for the preparation of lumacaftor and its crystalline forms
, World Intellectual Property Organization, , ,

合成路线:1 步

反应条件:
参考文献:
A process for the preparation of solid forms of (((difluorobenzodioxolyl)cyclopropanecarboxamido)methylpyridinyl)benzoic acid
, World Intellectual Property Organization, , ,

合成路线:1 步

反应条件:
参考文献:
Process and crystalline forms of lumacaftor
, India, , ,

合成路线:1 步

参考文献:
Macrocycles as modulators of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulators
, United States, , ,

合成路线:1 步

反应条件:
参考文献:
Methods of treatment for cystic fibrosis
, World Intellectual Property Organization, , ,

合成路线:1 步

参考文献:
Preparation of N-heteroaroylsulfonamide derivatives as cystic fibrosis transmembrane conductance regulator modulators for treatment of cystic fibrosis
, World Intellectual Property Organization, , ,
相关文献
化合物详情(旧版)

SMILES

OC(=O)C1C=C(C=CC=1)C2N=C(C=CC=2C)NC(=O)C3(CC3)C4=CC5=C(OC(F)(F)O5)C=C4

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