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PMC:7291971 / 72542-73938 JSONTXT

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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.