PMC:7291971 / 72542-73938
Annnotations
LitCovid-PMC-OGER-BB
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T1449 | 50-65 | CHEBI:50488;CHEBI:50488 | denotes | dihydroxyoxolan |
T1450 | 66-67 | CHEBI:53233;CHEBI:53233 | denotes | 2 |
T1451 | 68-71 | CHEBI:53233;CHEBI:53233 | denotes | yl] |
T1452 | 71-77 | CHEBI:29309;CHEBI:29309 | denotes | methyl |
T1453 | 108-118 | CHEBI:30756;CHEBI:30756 | denotes | purin-9-yl |
T1454 | 120-122 | CHEBI:53233;CHEBI:53233 | denotes | 4- |
T1455 | 122-129 | CHEBI:43176;CHEBI:43176 | denotes | hydroxy |
T1456 | 130-131 | CHEBI:34018;CHEBI:34018 | denotes | 5 |
T1457 | 133-146 | CHEBI:24712;CHEBI:24712 | denotes | hydroxymethyl |
T1458 | 147-153 | CHEBI:26911;CHEBI:26911 | denotes | oxolan |
T1459 | 153-154 | CHEBI:15533;CHEBI:15533 | denotes | - |
T1460 | 154-155 | CHEBI:53233;CHEBI:53233 | denotes | 3 |
T1461 | 155-158 | CHEBI:15533;CHEBI:15533 | denotes | -yl |
T1462 | 159-162 | CHEBI:15533;CHEBI:15533 | denotes | oxy |
T1463 | 172-177 | CHEBI:29785;CHEBI:29785 | denotes | nitro |
T1464 | 177-180 | CHEBI:86228;CHEBI:86228 | denotes | -4- |
T1465 | 180-204 | CHEBI:36810;CHEBI:36810 | denotes | (trifluoromethyl)benzene |
T1466 | 204-205 | CHEBI:34674;CHEBI:34674 | denotes | - |
T1467 | 205-207 | CHEBI:86228;CHEBI:86228 | denotes | 1- |
T1468 | 207-218 | CHEBI:35358;CHEBI:35358 | denotes | sulfonamide |
T1469 | 304-316 | CHEBI:38472;CHEBI:38472 | denotes | acetonitrile |
T1470 | 1007-1010 | CHEBI:36927;CHEBI:36927 | denotes | 13C |
T9081 | 50-65 | CHEBI:50488;CHEBI:50488 | denotes | dihydroxyoxolan |
T84269 | 66-67 | CHEBI:53233;CHEBI:53233 | denotes | 2 |
T69082 | 68-71 | CHEBI:53233;CHEBI:53233 | denotes | yl] |
T69733 | 71-77 | CHEBI:29309;CHEBI:29309 | denotes | methyl |
T41826 | 108-118 | CHEBI:30756;CHEBI:30756 | denotes | purin-9-yl |
T59624 | 120-122 | CHEBI:53233;CHEBI:53233 | denotes | 4- |
T23559 | 122-129 | CHEBI:43176;CHEBI:43176 | denotes | hydroxy |
T28637 | 130-131 | CHEBI:34018;CHEBI:34018 | denotes | 5 |
T71725 | 133-146 | CHEBI:24712;CHEBI:24712 | denotes | hydroxymethyl |
T78504 | 147-153 | CHEBI:26911;CHEBI:26911 | denotes | oxolan |
T39399 | 153-154 | CHEBI:15533;CHEBI:15533 | denotes | - |
T78395 | 154-155 | CHEBI:53233;CHEBI:53233 | denotes | 3 |
T72162 | 155-158 | CHEBI:15533;CHEBI:15533 | denotes | -yl |
T41623 | 159-162 | CHEBI:15533;CHEBI:15533 | denotes | oxy |
T99360 | 172-177 | CHEBI:29785;CHEBI:29785 | denotes | nitro |
T1872 | 177-180 | CHEBI:86228;CHEBI:86228 | denotes | -4- |
T89980 | 180-204 | CHEBI:36810;CHEBI:36810 | denotes | (trifluoromethyl)benzene |
T78608 | 204-205 | CHEBI:34674;CHEBI:34674 | denotes | - |
T83142 | 205-207 | CHEBI:86228;CHEBI:86228 | denotes | 1- |
T18825 | 207-218 | CHEBI:35358;CHEBI:35358 | denotes | sulfonamide |
T96175 | 304-316 | CHEBI:38472;CHEBI:38472 | denotes | acetonitrile |
T8921 | 1007-1010 | CHEBI:36927;CHEBI:36927 | denotes | 13C |
LitCovid-PubTator
Id | Subject | Object | Predicate | Lexical cue | tao:has_database_id |
---|---|---|---|---|---|
1345 | 304-316 | Chemical | denotes | acetonitrile | MESH:C032159 |
1346 | 320-325 | Chemical | denotes | TEAAc | |
1347 | 465-467 | Chemical | denotes | 1H | |
1348 | 482-488 | Chemical | denotes | DMSO‑d | |
1349 | 515-517 | Chemical | denotes | 1H | |
1350 | 529-531 | Chemical | denotes | 1H | |
1351 | 543-545 | Chemical | denotes | 1H | |
1352 | 569-571 | Chemical | denotes | 1H | |
1353 | 583-585 | Chemical | denotes | 1H | |
1354 | 597-599 | Chemical | denotes | 1H | |
1355 | 636-638 | Chemical | denotes | 1H | |
1356 | 654-656 | Chemical | denotes | 2H | MESH:D003903 |
1357 | 1300-1308 | Chemical | denotes | DMSO‑d 6 | |
1358 | 1320-1324 | Disease | denotes | HRMS | |
1359 | 1347-1356 | CellLine | denotes | C29H32N12 | CVCL:0189 |
LitCovid-PD-CLO
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T396 | 277-278 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T397 | 367-369 | http://purl.obolibrary.org/obo/CLO_0050510 | denotes | 18 |
T398 | 395-396 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T399 | 1364-1367 | http://purl.obolibrary.org/obo/CLO_0007706 | denotes | M+H |
LitCovid-PD-CHEBI
Id | Subject | Object | Predicate | Lexical cue | chebi_id |
---|---|---|---|---|---|
T616 | 23-44 | Chemical | denotes | 6-amino-9H-purin-9-yl | http://purl.obolibrary.org/obo/CHEBI_30756 |
T96744 | 25-30 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T66719 | 71-77 | Chemical | denotes | methyl | http://purl.obolibrary.org/obo/CHEBI_32875|http://purl.obolibrary.org/obo/CHEBI_29309 |
T49061 | 97-118 | Chemical | denotes | 6-amino-9H-purin-9-yl | http://purl.obolibrary.org/obo/CHEBI_30756 |
T27925 | 99-104 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T94159 | 122-129 | Chemical | denotes | hydroxy | http://purl.obolibrary.org/obo/CHEBI_43176 |
T96765 | 133-146 | Chemical | denotes | hydroxymethyl | http://purl.obolibrary.org/obo/CHEBI_24712 |
T53372 | 159-162 | Chemical | denotes | oxy | http://purl.obolibrary.org/obo/CHEBI_29354 |
T36482 | 163-168 | Chemical | denotes | ethyl | http://purl.obolibrary.org/obo/CHEBI_37807|http://purl.obolibrary.org/obo/CHEBI_62801 |
T32993 | 172-177 | Chemical | denotes | nitro | http://purl.obolibrary.org/obo/CHEBI_29785 |
T34326 | 180-204 | Chemical | denotes | (trifluoromethyl)benzene | http://purl.obolibrary.org/obo/CHEBI_36810 |
T629 | 181-196 | Chemical | denotes | trifluoromethyl | http://purl.obolibrary.org/obo/CHEBI_50127 |
T75889 | 197-204 | Chemical | denotes | benzene | http://purl.obolibrary.org/obo/CHEBI_16716 |
T631 | 207-218 | Chemical | denotes | sulfonamide | http://purl.obolibrary.org/obo/CHEBI_35358 |
T47431 | 304-316 | Chemical | denotes | acetonitrile | http://purl.obolibrary.org/obo/CHEBI_38472 |
T35557 | 326-332 | Chemical | denotes | buffer | http://purl.obolibrary.org/obo/CHEBI_35225 |
T37877 | 465-467 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T52101 | 482-486 | Chemical | denotes | DMSO | http://purl.obolibrary.org/obo/CHEBI_28262 |
T48273 | 515-517 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T637 | 529-531 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T22825 | 543-545 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T23474 | 569-571 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T640 | 583-585 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T94081 | 597-599 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T8168 | 636-638 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T68874 | 698-700 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T63267 | 724-726 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T93792 | 750-752 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T58208 | 776-778 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T12607 | 815-817 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T94498 | 841-843 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T44455 | 867-869 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T97308 | 893-895 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T97343 | 919-921 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T78806 | 964-966 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T25804 | 1025-1029 | Chemical | denotes | DMSO | http://purl.obolibrary.org/obo/CHEBI_28262 |
T68486 | 1300-1304 | Chemical | denotes | DMSO | http://purl.obolibrary.org/obo/CHEBI_28262 |
LitCovid-sentences
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T491 | 0-223 | Sentence | denotes | 4.1.32 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)-2-nitro-4-(trifluoromethyl)benzene-1-sulfonamide (12) |
T492 | 224-464 | Sentence | denotes | Using method C with (120 mg, 0.11 mmol, 1.00 eq) and a 0–40% linear gradient of acetonitrile in TEAAc buffer 50 mM, pH 7 for purification, 12 (18 mg, 20%) was obtained as a white powder with 99% purity determined by HPLC analysis at 260 nm. |
T493 | 465-1006 | Sentence | denotes | 1H NMR (500 MHz, DMSO‑d 6) δ 8.47 (d, J = 1.7 Hz, 1H), 8.32 (s, 1H), 8.28 (s, 1H), 8.15 (d, J = 8.3 Hz, 1H), 8.12 (s, 1H), 8.11 (s, 1H), 7.88 (dd, J = 8.6 Hz, J = 1.8 Hz, 1H), 7.36 (br. s, 2H), 7.31 (br. s, 2H), 5.90 (d, J = 5.2 Hz, 1H), 5.82 (d, J = 5.4 Hz, 1H), 5.61 (d, J = 6.0 Hz, 1H), 5.43 (d, J = 5.1 Hz, 1H), 5.38 (dd, J = 6.6 Hz, J = 4.8 Hz, 1H), 5.30 (d, J = 5.3 Hz, 1H), 4.65 (q, J = 5.4 Hz, 1H), 4.37 (t, J = 5.1 Hz, 1H), 4.31 (q, J = 4.7 Hz, 1H), 4.19–4.10 (m, 2H), 3.91 (q, J = 3.6 Hz, 1H), 3.87–3.63 (m, 4H), 3.61–3.45 (m, 4H). |
T494 | 1007-1281 | Sentence | denotes | 13C NMR (125 MHz, DMSO‑d 6) δ 156.2, 156.1, 152.7, 152.6, 149.2, 148.9, 147.7, 139.9, 139.4, 135.9, 133.9, 133.6, 133.3, 133.1, 131.1, 128.9, 128.9, 152.5, 123.3, 121.1, 119.0, 122.0, 121.9, 119.2 (2C), 87.8, 86.3, 85.9, 81.6, 81.5, 72.5, 71.4, 68.8, 67.7, 61.0, 50.0, 47.3. |
T495 | 1282-1319 | Sentence | denotes | 19F NMR (378 MHz, DMSO‑d 6): δ −62.8. |
T496 | 1320-1370 | Sentence | denotes | HRMS (ESI+): m/z calcd for C29H32N12O11SF3 [M+H]+: |
T497 | 1371-1396 | Sentence | denotes | 813.1986, Found 813.1988. |