Ensitrelvir

 化学構造式
2647530-73-0
CAS番号.
2647530-73-0
化学名:
别名:
英語名:
Ensitrelvir
英語别名:
Ensitrelvir;(E)-6-((6-chloro-2-methyl-2H-indazol-5-yl)imino)-3-((1-methyl-1H-1,2,4-triazol-3-yl)methyl)-1-(2,4,5-trifluorobenzyl)-1,3,5-triazinane-2,4-dione;Ensitrelvir (S-217622);S-217622-002;WIDELY Ensitrelvir;S-217622 (Ensitrelvir);Ensitrelvir Intermediates;intrapulmonary replication,Virus Protease,COVID-19,S217622,oral,SARS-CoV,Ensitrelvir,SARS coronavirus,S-217622,variant,S 217622,Inhibitor,inhibit;1,3,5-Triazine-2,4(1H,3H)-dione, 6-[(6-chloro-2-methyl-2H-indazol-5-yl)imino]dihydro-3-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-[(2,4,5-trifluorophenyl)methyl]-, (6E)-;Ensitrelvir/1,3,5-Triazine-2,4(1H,3H)-dione, 6-[(6-chloro-2-methyl-2H-indazol-5-yl)imino]dihydro-3-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-[(2,4,5-trifluorophenyl)methyl]-, (6E)-
CBNumber:
CB610473546
化学式:
C22H17ClF3N9O2
分子量:
531.88
MOL File:
2647530-73-0.mol
MSDS File:
SDS

Ensitrelvir 物理性質

沸点 :
696.2±65.0 °C(Predicted)
比重(密度) :
1.65±0.1 g/cm3(Predicted)
溶解性:
DMSO:160.0(Max Conc. mg/mL);300.82(Max Conc. mM)
外見 :
A crystalline solid
酸解離定数(Pka):
5.19±0.20(Predicted)
InChIKey:
QMPBBNUOBOFBFS-UHFFFAOYSA-N
SMILES:
N1(CC2=CC(F)=C(F)C=C2F)C(=NC2C(Cl)=CC3C(C=2)=CN(C)N=3)NC(=O)N(CC2N=CN(C)N=2)C1=O

安全性情報

Ensitrelvir 価格

メーカー 製品番号 製品説明 CAS番号 包装 価格 更新時間 購入

Ensitrelvir 化学特性,用途語,生産方法

合成

A practical route to Ensitrelvir: The unprecedented strategy utilizing a meta-cresolyl moiety enhanced the stability of intermediate compounds and enabled scalable manufacturing of 1. The 6-step longest linear sequence (from 26) delivers the target molecule in 35.1% yield. This overall yield was improved by approximately 7-fold compared to the earlier process used in the early research and development stage (4.8%). Our convergent approach to the synthesis of 1 made the manufacturing process concise, streamlined, and short. Direct crystallization was achieved in 9 out of the 12 steps, thus establishing a greener process without silica-gel column chromatographic purification. In addition, the present practical process settled all the issues that made large-scale synthesis difficult, i.e., removal of corrosive acid by evaporation and the generation of noxious odors from thiol derivatives.[2]
説明図

Ensitrelvir 上流と下流の製品情報

原材料

準備製品


Ensitrelvir 生産企業

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  • 2647530-73-0
  • 1,3,5-Triazine-2,4(1H,3H)-dione, 6-[(6-chloro-2-methyl-2H-indazol-5-yl)imino]dihydro-3-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-[(2,4,5-trifluorophenyl)methyl]-, (6E)-
  • WIDELY Ensitrelvir
  • S-217622-002
  • Ensitrelvir (S-217622)
  • (E)-6-((6-chloro-2-methyl-2H-indazol-5-yl)imino)-3-((1-methyl-1H-1,2,4-triazol-3-yl)methyl)-1-(2,4,5-trifluorobenzyl)-1,3,5-triazinane-2,4-dione
  • Ensitrelvir/1,3,5-Triazine-2,4(1H,3H)-dione, 6-[(6-chloro-2-methyl-2H-indazol-5-yl)imino]dihydro-3-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-[(2,4,5-trifluorophenyl)methyl]-, (6E)-
  • intrapulmonary replication,Virus Protease,COVID-19,S217622,oral,SARS-CoV,Ensitrelvir,SARS coronavirus,S-217622,variant,S 217622,Inhibitor,inhibit
  • S-217622 (Ensitrelvir)
  • Ensitrelvir Intermediates
  • Ensitrelvir
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