HCID 21868383, compound → 1-(Benzothiazole-2-sulfonyl)-4-{[6-N-(piperonyloxycarbonyl)-adenin-9-yl]-acetyl}-piperazin-2-one
Reaction equation
FC(F)(F)C(O)=O.[S:8]1[C:12]2[CH:13]=[CH:14][CH:15]=[CH:16][C:11]=2[N:10]=[C:9]1[S:17]([N:20]1[CH2:25][CH2:24][NH:23][CH2:22][C:21]1=[O:26])(=[O:19])=[O:18].[CH2:27]([O:37][C:38]([NH:40][C:41]1[N:49]=[CH:48][N:47]=[C:46]2[C:42]=1[N:43]=[CH:44][N:45]2[CH2:50][C:51](O)=[O:52])=[O:39])[C:28]1[CH:36]=[CH:35][C:34]2[O:33][CH2:32][O:31][C:30]=2[CH:29]=1>>[S:8]1[C:12]2[CH:13]=[CH:14][CH:15]=[CH:16][C:11]=2[N:10]=[C:9]1[S:17]([N:20]1[CH2:25][CH2:24][N:23]([C:51](=[O:52])[CH2:50][N:45]2[CH:44]=[N:43][C:42]3[C:46]2=[N:47][CH:48]=[N:49][C:41]=3[NH:40][C:38]([O:37][CH2:27][C:28]2[CH:36]=[CH:35][C:34]3[O:33][CH2:32][O:31][C:30]=3[CH:29]=2)=[O:39])[CH2:22][C:21]1=[O:26])(=[O:19])=[O:18]Participants
3
Procedure
The title compound was synthesized by the reaction of 1-(benzothiazole-2-sulfonyl)-piperazin-2-one trifluoroacetic acid salt with [6-N-(piperonyloxycarbonyl)-adenine-9-yl]-acetic acid as per the procedure of Example 52. 1H NMR (500 MHz; DMSO-d6) δ 10.64 (s, 1H), 8.58 (s, 0.6H), 8.57 (s, 0.4H), 8.34 (m, 1H), 8.31 (s, 0.4H), 8.28 (s, 0.6H), 8.27 (m, 1H), 7.72 (m, 2H), 7.04 (s, 1H), 6.94 (d, 1H), 6.90 (d, 1H), 6.01 (s, 2H), 5.39 (s, 1.2H), 5.28 (s, 0.8H), 5.09 (s, 2H), 4.57 (s, 0.8H), 4.29 (m, 2.4H), 4.09 (t, 2H), 3.88 (t, 0.8H).
Sources & evidence
- ORD record
- ord-4b43d9a3fdd146baa1e8ad31620cf397
- Source dataset
- uspto-grants-2005_11
- Patent number
- US06969766B2
Reaction notes
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