Purine → 2-(7-Amino-1,2,3-triazolo[4,5-d]pyrimidin-3-ylmethyl)-5-methyl-3-o-tolyl-3h-quinazolin-4-one

HRID 241943

반응식

[N:1]1C=C2C(N=CN2)=NC=1.[CH3:10][C:11]1[CH:16]=[CH:15][CH:14]=[C:13]2[N:17]=[C:18]([CH2:29][N:30]3[C:34]4[N:35]=[CH:36][N:37]=[C:38]([NH2:39])[C:33]=4[N:32]=C3)[N:19]([C:22]3[C:27]([CH3:28])=[CH:26][CH:25]=[CH:24][CH:23]=3)[C:20](=[O:21])[C:12]=12>>[NH2:39][C:38]1[C:33]2[N:32]=[N:1][N:30]([CH2:29][C:18]3[N:19]([C:22]4[CH:23]=[CH:24][CH:25]=[CH:26][C:27]=4[CH3:28])[C:20](=[O:21])[C:12]4[C:13](=[CH:14][CH:15]=[CH:16][C:11]=4[CH3:10])[N:17]=3)[C:34]=2[N:35]=[CH:36][N:37]=1

참가 물질

반응물 2

HCID 1044Purine

HCID 9908783IC 87114

생성물 1

HCID 101789842-(7-Amino-1,2,3-triazolo[4,5-d]pyrimidin-3-ylmethyl)-5-methyl-3-o-tolyl-3h-quinazolin-4-one

실험 절차

1H NMR (300 MHz, d6-DMSO) δ: 8.43 (br s, 1H), 8.19 (s, 1H), 8.10 (br s, 1H), 7.62 (t, J=7.8 Hz, 1H), 7.49-7.28 (m, 5H), 7.22 (d, J=8.1 Hz, 1H), 5.49 (d, J=17.0 Hz, 1H), 5.19 (d, J=17.0 Hz, 1H), 2.73 (s, 3H), 2.11 (s, 3H). Alkylation at purine N7 determined by similarity to nmr spectrum of D-030. LRMS (ES pos.) m/z=399 (M+1).

출처 및 근거

ORD 기록: ord-d6a71c7771e24bcc9894f11ca86705d5
출처 데이터셋: uspto-grants-2014_02
DOI: 10.6084/m9.figshare.5104873.v1
특허 번호: US08653077B2

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