Ensitrelvir

Ensitrelvir 구조식 이미지
카스 번호:
2647530-73-0
상품명:
Ensitrelvir
동의어(영문):
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;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;intrapulmonary replication,Virus Protease,COVID-19,S217622,oral,SARS-CoV,Ensitrelvir,SARS coronavirus,S-217622,variant,S 217622,Inhibitor,inhibit;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-trifluorophenyl)methyl]-1,3,5-triazinane-2,4-dione
CBNumber:
CB610473546
분자식:
C22H17ClF3N9O2
포뮬러 무게:
531.88
MOL 파일:
2647530-73-0.mol
MSDS 파일:
SDS

Ensitrelvir 속성

끓는 점
696.2±65.0 °C(Predicted)
밀도
1.65±0.1 g/cm3(Predicted)
용해도
DMSO:160.0(Max Conc. mg/mL);300.82(Max Conc. mM)
물리적 상태
결정성 고체
산도 계수 (pKa)
5.19±0.20(Predicted)
색상
White to light yellow
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

안전

Ensitrelvir C화학적 특성, 용도, 생산

Synthesis

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]
Ensitrelvir

법규

The U.S. Food and Drug Administration (FDA) granted Fast Track designation to Ensitrelvir for COVID-19. FDA Fast Track designation is designed to facilitate the development and expedite the review of potential new therapies that treat severe conditions and fulfill an unmet medical need. Ensitrelvir was approved in Singapore in November 2023 based on the Special Access Route application. Ensitrelvir remains an investigational drug outside of Japan and Singapore. In addition, the brand name Xocova? has not been approved for use outside of Japan and Singapore and pertains only to the approved drug in Japan and Singapore.

Ensitrelvir 준비 용품 및 원자재

원자재

준비 용품


Ensitrelvir 공급 업체

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Henan Alfa Chemical Co., Ltd
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RR Scientific LLC
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Nantong HI-FUTURE Biology Co., Ltd.
+undefined18051384581
sales@chemhifuture.com China 3135 58
TargetMol Chemicals Inc.

support@targetmol.com United States 38470 58
HangZhou RunYan Pharma Technology Co.,LTD.
+8618882027439
sales2@runyanpharma.com China 302 58

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