Trifluoroacetic acid → HCID 58405603, 화합물

HRID 44860

반응식

HRID 44860 반응식
[NH2:1][C:2]1[CH:3]=[N:4][CH:5]=[CH:6][C:7]=1[C:8]1[N:17]=[CH:16][C:15]2[N:14]([CH3:18])[C:13](=[O:19])[C@@H:12]([CH2:20][CH3:21])[N:11]([CH:22]([CH3:24])[CH3:23])[C:10]=2[N:9]=1.[C:25]1([S:31](Cl)(=[O:33])=[O:32])[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1.C(O)(C(F)(F)F)=O>>[CH2:20]([C@H:12]1[N:11]([CH:22]([CH3:23])[CH3:24])[C:10]2[N:9]=[C:8]([C:7]3[CH:6]=[CH:5][N:4]=[CH:3][C:2]=3[NH:1][S:31]([C:25]3[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=3)(=[O:33])=[O:32])[N:17]=[CH:16][C:15]=2[N:14]([CH3:18])[C:13]1=[O:19])[CH3:21]

참가 물질

4

반응물 3

HCID 6422Trifluoroacetic acidHCID 7369Benzenesulfonyl chlorideHCID 58405288(R)-2-(3-aminopyridin-4-yl)-7-ethyl-8-isopropyl-5-methyl-7,8-dihydropteridin-6(5H)-one

생성물 1

HCID 58405603HCID 58405603, 화합물

실험 절차

The title compound was prepared similarly to the methods described in Example 114, with (R)-2-(3-aminopyridin-4-yl)-7-ethyl-8-isopropyl-5-methyl-7,8-dihydropteridin-6(5H)-one (Example 93) instead of (R)-2-(3-aminopyridin-4-yl)-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5H)-one (Example 91) and with benzene sulfonylchloride instead of chloromethylcarbonate. LCMS (0.05% TFA): 467.2 m/z (M+H)+; 1H-NMR (DMSO-d6, 500 MHz): δ: 12.90 (s, 1H), 8.77 (s, 1H), 8.42 (d, 1H, J=5 Hz), 8.23 (s, 1H), 8.10 (d, 1H, J=5.5 Hz), 7.68 (d, 2H, J=7.5 Hz), 7.56 (t, 1H, J=7.5 Hz), 7.45 (t, 2H, J=7.5 Hz), 4.47 (m, 2H), 3.35 (s, 3H), 1.87 (m, 1H), 1.75 (m, 1H), 1.39 (d, 6H, J=6.5 Hz), 0.77 (t, 3H, J=7.5 Hz).

출처 및 근거

ORD 기록
ord-7202c083fbb34cdf9bae802dd38661ab
출처 데이터셋
uspto-grants-2013_09
특허 번호
US08541418B2

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