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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;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

분자식:: C22H17ClF3N9O2

포뮬러 무게:: 531.88

MOL 파일:: 2647530-73-0.mol

MSDS 파일:: SDS

속성

안전

용도

공급 업체 100

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)

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]

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

글로벌( 100)공급 업체

공급자	전화	이메일	국가	제품 수	이점
Jinan Jianfeng Chemical Co., Ltd	0531-88110457; +8615562555968	info@pharmachemm.com	China	223	58
Chongqing Chemdad Co., Ltd	+86-023-61398051 +8613650506873	sales@chemdad.com	China	39916	58
ANHUI WITOP BIOTECH CO., LTD	+8615255079626	eric@witopchemical.com	China	23556	58
Hebei Lingding Biotechnology Co., Ltd.	+86-18031140164 +86-19933155420	erin@hbldbiotech.com	China	724	58
Zhejiang J&C Biological Technology Co.,Limited	+1-2135480471 +1-2135480471	sales@sarms4muscle.com	China	10523	58
Henan Alfa Chemical Co., Ltd	+8618339805032	alfa4@alfachem.cn	China	12975	58
RR Scientific LLC	+86-13917743231	sales@rrscientific.com	United States	878	58
Hebei Duling International Trade Co. LTD	+8617333973358	sales01@hbduling.cn	China	15709	58
Nantong HI-FUTURE Biology Co., Ltd.	+undefined18051384581	sales@chemhifuture.com	China	3136	58
TargetMol Chemicals Inc.	+1-781-999-5354	support@targetmol.com	United States	19973	58