Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 1992134생성일: 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-N-ethyl-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]benzenesulfonamide
https://huagongshe.com/reaction/1992134
참여 물질
| 역할 | 이름 | HCID | 투입량 |
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| 반응물 | Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1) | HCID 9886157 | — |
| 반응물 | 2-Chloro-5-[(ethylamino)sulfonyl]-4-fluorobenzoic acid | HCID 58728052 | — |
| 반응물 | 1-((1R,5S)-8-{2-[4-(3-fluorophenyl)piperidin-4-yl]ethyl}-8-azabicyclo[3.2.1]oct-3-yl)-2-methyl-1H-benzimidazole | HCID 58728815 | — |
| 생성물 | 4-chloro-N-ethyl-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]benzenesulfonamide | HCID 53260731 | 44% |
반응 단계
0.103 g (0.23 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 0.129 g (0.46 mmol) 2-chloro-5-[(ethylamino)sulfonyl]-4-fluorobenzoic acid were combined following the HATU general procedure in Example 5. This compound was purified by flash chromatography on a 0-100% gradient of 1N methanolic ammonia in ethyl acetate in ethyl acetate. 0.76 g obtained (44% yield). 1H NMR (300 MHz, DMSO-d6) δ 8.04-8.14 (m, 1H), 7.86-7.89 (d, 1H J=9.83 Hz), 7.72-7.79 (m, 3H), 7.41-7.51 (m, 3. H), 7.21-7.26 (m, 2H), 7.09-7.15 (m, 1H), 5.00-5.11 (m, 1H), 4.03-4.14 (m, 2H), 3.87-3.99 (m, 1H), 3.19-3.38 (m, 2H), 2.96-3.05 (m, 1H), 2.85-2.94 (m, 3H), 2.69-2.80 (m, 4H), 2.51-2.64 (m, 2H), 1.93-2.26 (m, 11H), 1.73-1.88 (m, 2H), 0.94-1.12 (m, 3H). LC/MS m/z (M+H): 710.
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| 특허 번호 | US07645771B2 |
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| 출처 데이터셋 | uspto-grants-2010_01 |
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| ORD ID | ord-a4c20f3628584ae18bb6c1338824ba9a |
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| 출처 메모 | uspto-grants-2010_01 |
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