
PMC:7291971 / 73940-75224
Annnotations
LitCovid-PMC-OGER-BB
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T1471 | 50-65 | CHEBI:50488;CHEBI:50488 | denotes | dihydroxyoxolan |
T1472 | 66-67 | CHEBI:53233;CHEBI:53233 | denotes | 2 |
T1473 | 68-71 | CHEBI:53233;CHEBI:53233 | denotes | yl] |
T1474 | 71-77 | CHEBI:29309;CHEBI:29309 | denotes | methyl |
T1475 | 108-118 | CHEBI:30756;CHEBI:30756 | denotes | purin-9-yl |
T1476 | 120-122 | CHEBI:34018;CHEBI:34018 | denotes | 4- |
T1477 | 122-129 | CHEBI:43176;CHEBI:43176 | denotes | hydroxy |
T1478 | 130-131 | CHEBI:34018;CHEBI:34018 | denotes | 5 |
T1479 | 133-146 | CHEBI:24712;CHEBI:24712 | denotes | hydroxymethyl |
T1480 | 147-153 | CHEBI:26911;CHEBI:26911 | denotes | oxolan |
T1481 | 153-154 | CHEBI:15533;CHEBI:15533 | denotes | - |
T1482 | 154-155 | CHEBI:53233;CHEBI:53233 | denotes | 3 |
T1483 | 155-158 | CHEBI:15533;CHEBI:15533 | denotes | -yl |
T1484 | 158-159 | CHEBI:53233;CHEBI:53233 | denotes | ] |
T1485 | 159-162 | CHEBI:15533;CHEBI:15533 | denotes | oxy |
T1486 | 172-178 | CHEBI:47853;CHEBI:47853 | denotes | chloro |
T1487 | 178-181 | CHEBI:86228;CHEBI:86228 | denotes | -3- |
T1488 | 181-193 | CHEBI:27798;CHEBI:27798 | denotes | nitrobenzene |
T1489 | 193-196 | CHEBI:86228;CHEBI:86228 | denotes | -1- |
T1490 | 196-207 | CHEBI:35358;CHEBI:35358 | denotes | sulfonamide |
T1491 | 296-308 | CHEBI:38472;CHEBI:38472 | denotes | acetonitrile |
T1492 | 994-997 | CHEBI:36927;CHEBI:36927 | denotes | 13C |
T40026 | 50-65 | CHEBI:50488;CHEBI:50488 | denotes | dihydroxyoxolan |
T28765 | 66-67 | CHEBI:53233;CHEBI:53233 | denotes | 2 |
T9151 | 68-71 | CHEBI:53233;CHEBI:53233 | denotes | yl] |
T2628 | 71-77 | CHEBI:29309;CHEBI:29309 | denotes | methyl |
T10304 | 108-118 | CHEBI:30756;CHEBI:30756 | denotes | purin-9-yl |
T30594 | 120-122 | CHEBI:34018;CHEBI:34018 | denotes | 4- |
T33230 | 122-129 | CHEBI:43176;CHEBI:43176 | denotes | hydroxy |
T38807 | 130-131 | CHEBI:34018;CHEBI:34018 | denotes | 5 |
T78456 | 133-146 | CHEBI:24712;CHEBI:24712 | denotes | hydroxymethyl |
T45407 | 147-153 | CHEBI:26911;CHEBI:26911 | denotes | oxolan |
T96949 | 153-154 | CHEBI:15533;CHEBI:15533 | denotes | - |
T30771 | 154-155 | CHEBI:53233;CHEBI:53233 | denotes | 3 |
T52396 | 155-158 | CHEBI:15533;CHEBI:15533 | denotes | -yl |
T27861 | 158-159 | CHEBI:53233;CHEBI:53233 | denotes | ] |
T30803 | 159-162 | CHEBI:15533;CHEBI:15533 | denotes | oxy |
T29803 | 172-178 | CHEBI:47853;CHEBI:47853 | denotes | chloro |
T18253 | 178-181 | CHEBI:86228;CHEBI:86228 | denotes | -3- |
T10920 | 181-193 | CHEBI:27798;CHEBI:27798 | denotes | nitrobenzene |
T29304 | 193-196 | CHEBI:86228;CHEBI:86228 | denotes | -1- |
T57790 | 196-207 | CHEBI:35358;CHEBI:35358 | denotes | sulfonamide |
T31150 | 296-308 | CHEBI:38472;CHEBI:38472 | denotes | acetonitrile |
T95477 | 994-997 | CHEBI:36927;CHEBI:36927 | denotes | 13C |
LitCovid-PubTator
Id | Subject | Object | Predicate | Lexical cue | tao:has_database_id |
---|---|---|---|---|---|
1374 | 296-308 | Chemical | denotes | acetonitrile | MESH:C032159 |
1375 | 312-317 | Chemical | denotes | TEAAc | |
1376 | 457-459 | Chemical | denotes | 1H | |
1377 | 474-480 | Chemical | denotes | DMSO‑d | |
1378 | 507-509 | Chemical | denotes | 1H | |
1379 | 521-523 | Chemical | denotes | 1H | |
1380 | 535-537 | Chemical | denotes | 1H | |
1381 | 550-552 | Chemical | denotes | 1H | |
1382 | 565-567 | Chemical | denotes | 1H | |
1383 | 604-606 | Chemical | denotes | 1H | |
1384 | 630-632 | Chemical | denotes | 1H | |
1385 | 648-650 | Chemical | denotes | 2H | MESH:D003903 |
1386 | 1235-1250 | Chemical | denotes | C28H32N12O11SCl | |
1387 | 1208-1212 | Disease | denotes | HRMS |
LitCovid-PD-CLO
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T400 | 237-240 | http://purl.obolibrary.org/obo/CLO_0001053 | denotes | 121 |
T401 | 269-270 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T402 | 387-388 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T403 | 1252-1255 | http://purl.obolibrary.org/obo/CLO_0007706 | denotes | M+H |
LitCovid-PD-CHEBI
Id | Subject | Object | Predicate | Lexical cue | chebi_id |
---|---|---|---|---|---|
T37122 | 23-44 | Chemical | denotes | 6-amino-9H-purin-9-yl | http://purl.obolibrary.org/obo/CHEBI_30756 |
T6392 | 25-30 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T60248 | 71-77 | Chemical | denotes | methyl | http://purl.obolibrary.org/obo/CHEBI_32875|http://purl.obolibrary.org/obo/CHEBI_29309 |
T54928 | 97-118 | Chemical | denotes | 6-amino-9H-purin-9-yl | http://purl.obolibrary.org/obo/CHEBI_30756 |
T92031 | 99-104 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T4142 | 122-129 | Chemical | denotes | hydroxy | http://purl.obolibrary.org/obo/CHEBI_43176 |
T662 | 133-146 | Chemical | denotes | hydroxymethyl | http://purl.obolibrary.org/obo/CHEBI_24712 |
T42905 | 159-162 | Chemical | denotes | oxy | http://purl.obolibrary.org/obo/CHEBI_29354 |
T664 | 163-168 | Chemical | denotes | ethyl | http://purl.obolibrary.org/obo/CHEBI_37807|http://purl.obolibrary.org/obo/CHEBI_62801 |
T20583 | 172-178 | Chemical | denotes | chloro | http://purl.obolibrary.org/obo/CHEBI_47853 |
T88063 | 181-193 | Chemical | denotes | nitrobenzene | http://purl.obolibrary.org/obo/CHEBI_27798 |
T35595 | 196-207 | Chemical | denotes | sulfonamide | http://purl.obolibrary.org/obo/CHEBI_35358 |
T27886 | 296-308 | Chemical | denotes | acetonitrile | http://purl.obolibrary.org/obo/CHEBI_38472 |
T670 | 318-324 | Chemical | denotes | buffer | http://purl.obolibrary.org/obo/CHEBI_35225 |
T32310 | 457-459 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T88164 | 474-478 | Chemical | denotes | DMSO | http://purl.obolibrary.org/obo/CHEBI_28262 |
T33091 | 507-509 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T35870 | 521-523 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T55042 | 535-537 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T5281 | 550-552 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T43033 | 565-567 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T8910 | 604-606 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T46731 | 630-632 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T78659 | 691-693 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T77980 | 717-719 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T28166 | 743-745 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T77813 | 788-790 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T77672 | 814-816 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T56894 | 840-842 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T4703 | 866-868 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T20231 | 911-913 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T2314 | 970-972 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T51379 | 1012-1016 | Chemical | denotes | DMSO | http://purl.obolibrary.org/obo/CHEBI_28262 |
LitCovid-sentences
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T498 | 0-212 | Sentence | denotes | 4.1.33 N-{[(2R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}-N-(2-{[(2R,5R)-2-(6-amino-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy}ethyl)-4-chloro-3-nitrobenzene-1-sulfonamide (13) |
T499 | 213-456 | Sentence | denotes | Using method C with 33 (121 mg, 0.12 mmol, 1.00 eq) and a 0–40% linear gradient of acetonitrile in TEAAc buffer 50 mM, pH 7 for purification, 13 (14 mg, 16%) was obtained as a white powder with 98% purity determined by HPLC analysis at 260 nm. |
T500 | 457-993 | Sentence | denotes | 1H NMR (500 MHz, DMSO‑d 6) δ 8.42 (d, J = 2.2 Hz, 1H), 8.34 (s, 1H), 8.32 (s, 1H), 8.144 (s, 1H), 8.140 (s, 1H), 7.96 (dd, J = 8.5 Hz, J = 2.2 Hz, 1H), 7.77 (d, J = 8.5 Hz, 1H), 7.41 (br. s, 2H) 7.35 (br. s, 2H), 5.90 (d, J = 5.2 Hz, 1H), 5.83 (d, J = 5.8 Hz, 1H), 5.59 (d, J = 6.0 Hz, 1H), 5.48–5.31 (m, 2H), 5.25 (d, J = 5.3 Hz, 1H), 4.72 (q, J = 5.5 Hz, 1H), 4.36 (t, J = 5.0 Hz, 1H), 4.29 (q, J = 4.6 Hz, 1H), 4.22–4.08 (m, 2H), 3.87 (q, J = 3.6 Hz, 1H), 3.78–3.70 (m, 2H), 3.67 (dd, J = 12.2 Hz, J = 3.4 Hz, 1H), 3.56–3.29 (m, 5H). |
T501 | 994-1207 | Sentence | denotes | 13C NMR (125 MHz, DMSO‑d 6) δ 156.1, 156.0, 152.6, 152.5, 149.3, 148.9, 147.4, 140.1, 139.5, 139.5, 132.7, 131.6, 129.6, 124.3, 119.3, 119.3, 87.6, 86.2, 85.8, 81.8, 81.5, 72.3, 71.3, 68.8, 68.1, 61.4, 50.8, 48.1. |
T502 | 1208-1258 | Sentence | denotes | HRMS (ESI+): m/z calcd for C28H32N12O11SCl [M+H]+: |
T503 | 1259-1284 | Sentence | denotes | 779.1723, Found 779.1730. |