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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 1992140생성일: 2026년 10월 26일

Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1) → 4-chloro-2-fluoro-5-[4-(3-fluorophenyl)-4-[2-[(1R,5S)-3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidine-1-carbonyl]-N-isopropyl-benzenesulfonamide

https://huagongshe.com/reaction/1992140

반응식

참여 물질

역할이름HCID투입량
반응물Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 9886157—
반응물2-Chloro-4-fluoro-5-[(isopropylamino)sulfonyl]benzoic acidHCID 58728656—
반응물1-((1R,5S)-8-{2-[4-(3-fluorophenyl)piperidin-4-yl]ethyl}-8-azabicyclo[3.2.1]oct-3-yl)-2-methyl-1H-benzimidazoleHCID 58728815—
생성물4-chloro-2-fluoro-5-[4-(3-fluorophenyl)-4-[2-[(1R,5S)-3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidine-1-carbonyl]-N-isopropyl-benzenesulfonamideHCID 5326088842%

반응 단계

0.290 g (0.65 mmol) 1-((1R,5S)-8-{2-[4-(3-fluorophenyl)piperidin-4-yl]ethyl}-8-azabicyclo[3.2.1]oct-3-yl)-2-methyl-1H-benzimidazole and 0.288 g (0.975 mmol) 2-chloro-4-fluoro-5-[(isopropylamino)sulfonyl]benzoic acid were combined following the HATU general procedure in Example 5. This compound was purified by reverse phase chromatography on a 0-100% gradient of 0.1% TFA in water in acetonitrile. 0.196 g obtained (42% yield). 1H NMR (300 MHz, DMSO-d6) δ 8.09-8.19 (m, 1H), 7.76-7.99 (m, 2H), 7.38-7.55 (m, 4H), 7.25-7.31 (m, 1H), 7.07-7.20 (m, 3H), 4.52-4.62 (m, 1H), 3.92-4.01 (m, 1H), 3.29-3.43 (m, 6H), 3.01-3.11 (m, 1H), 2.76 (s, 1H), 2.47-2.51 (m, 2H), 2.36-2.45 (m, 1H), 1.78-2.04 (m, 12H), 1.25-1.32 (m, 3H), 0.99-1.07 (m, 6H).

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US07645771B2
출처 데이터셋uspto-grants-2010_01
ORD IDord-ef57425cf20a4c09b5a7472793533cac
출처 메모uspto-grants-2010_01