Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Phenylmethanesulfonyl chloride → (3S)-4-[[1-[(1-amino-6-isoquinolinyl)methyl]-2-oxo-2-(1-piperidinyl)ethyl]amino]-3-[[(phenylmethyl)sulfonyl]amino]-4-oxo-butanoic acid 1,1-dimethylethylester hydrochloride
참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|---|---|---|
| 반응물 | Phenylmethanesulfonyl chloride | HCID 74740 | — |
| 반응물 | 4-tert-Butyl hydrogen L-aspartate | HCID 7010570 | — |
| 반응물 | 1,1-Dimethylethyl 1-[(1-amino-6-isoquinolinyl)methyl]-2-oxo-2-(1-piperidinyl)ethyl-carbamate | HCID 22665607 | — |
| 반응물 | N-[1-[(1-Amino-6-isoquinolinyl)methyl]-2-oxo-2-(1-piperidinyl)ethyl]-2-[[(3,4-dihydro-2,2,5,7,8-pentamethyl-2H-1-benzopyran-6-yl)sulfonyl]amino]acetamide hydrochloride | HCID 22665631 | — |
| 반응물 | (2S)-[[(phenylmethyl)sulfonyl]amino]butanedioic acid 4-(1,1-dimethylethyl)ester | HCID 69780511 | — |
| 생성물 | (3S)-4-[[1-[(1-amino-6-isoquinolinyl)methyl]-2-oxo-2-(1-piperidinyl)ethyl]amino]-3-[[(phenylmethyl)sulfonyl]amino]-4-oxo-butanoic acid 1,1-dimethylethylester hydrochloride | HCID 69780956 | — |
반응 단계
The procedure described for 5c was used. Deprotection of 100 mg of 5a and coupling with 95 mg of (2S)-[[(phenylmethyl)sulfonyl]amino]butanedioic acid 4-(1,1-dimethylethyl)ester (prepared from Asp(OtBu)-OH and phenylmethylsulfonylchloride using the procedure described for 5b) yielded the title compound (133 mg) as a mixture of diastereomers (1:1). 1H-NMR 400 MHz (CD3OD) δ: 0.83-1.69 (6H, m), 1.41 and 1.42 (9H, 2× s), 2.42-2.63 (2H, m), 3.09-3.61 (6H, m), 4.01-4.38 (3H, m), 5.22-5.31 (1H, m), 7.13-7.80 (9H, m), 8.25-8.30 (1H, m).
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| 특허 번호 | US06444672B1 |
| 출처 데이터셋 | uspto-grants-2002_09 |
| ORD ID | ord-3824d1004de645549309e897fe4ba861 |
| 출처 메모 | uspto-grants-2002_09 |