PMC:7291971 / 71277-72540
Annnotations
LitCovid-PMC-OGER-BB
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T1428 | 50-65 | CHEBI:50488;CHEBI:50488 | denotes | dihydroxyoxolan |
T1429 | 66-67 | CHEBI:53233;CHEBI:53233 | denotes | 2 |
T1430 | 68-71 | CHEBI:53233;CHEBI:53233 | denotes | yl] |
T1431 | 71-77 | CHEBI:29309;CHEBI:29309 | denotes | methyl |
T1432 | 108-118 | CHEBI:30756;CHEBI:30756 | denotes | purin-9-yl |
T1433 | 120-122 | CHEBI:53233;CHEBI:53233 | denotes | 4- |
T1434 | 122-129 | CHEBI:43176;CHEBI:43176 | denotes | hydroxy |
T1435 | 130-131 | CHEBI:34018;CHEBI:34018 | denotes | 5 |
T1436 | 133-146 | CHEBI:24712;CHEBI:24712 | denotes | hydroxymethyl |
T1437 | 147-153 | CHEBI:26911;CHEBI:26911 | denotes | oxolan |
T1438 | 153-154 | CHEBI:15533;CHEBI:15533 | denotes | - |
T1439 | 154-155 | CHEBI:53233;CHEBI:53233 | denotes | 3 |
T1440 | 155-158 | CHEBI:15533;CHEBI:15533 | denotes | -yl |
T1441 | 159-162 | CHEBI:15533;CHEBI:15533 | denotes | oxy |
T1442 | 172-179 | CHEBI:44520;CHEBI:44520 | denotes | methoxy |
T1443 | 179-182 | CHEBI:86228;CHEBI:86228 | denotes | -4- |
T1444 | 182-194 | CHEBI:27798;CHEBI:27798 | denotes | nitrobenzene |
T1445 | 194-197 | CHEBI:86228;CHEBI:86228 | denotes | -1- |
T1446 | 197-208 | CHEBI:35358;CHEBI:35358 | denotes | sulfonamide |
T1447 | 297-309 | CHEBI:38472;CHEBI:38472 | denotes | acetonitrile |
T1448 | 969-972 | CHEBI:36927;CHEBI:36927 | denotes | 13C |
T9646 | 50-65 | CHEBI:50488;CHEBI:50488 | denotes | dihydroxyoxolan |
T9486 | 66-67 | CHEBI:53233;CHEBI:53233 | denotes | 2 |
T17557 | 68-71 | CHEBI:53233;CHEBI:53233 | denotes | yl] |
T47501 | 71-77 | CHEBI:29309;CHEBI:29309 | denotes | methyl |
T76951 | 108-118 | CHEBI:30756;CHEBI:30756 | denotes | purin-9-yl |
T96155 | 120-122 | CHEBI:53233;CHEBI:53233 | denotes | 4- |
T5259 | 122-129 | CHEBI:43176;CHEBI:43176 | denotes | hydroxy |
T85099 | 130-131 | CHEBI:34018;CHEBI:34018 | denotes | 5 |
T50359 | 133-146 | CHEBI:24712;CHEBI:24712 | denotes | hydroxymethyl |
T76632 | 147-153 | CHEBI:26911;CHEBI:26911 | denotes | oxolan |
T56362 | 153-154 | CHEBI:15533;CHEBI:15533 | denotes | - |
T67443 | 154-155 | CHEBI:53233;CHEBI:53233 | denotes | 3 |
T80801 | 155-158 | CHEBI:15533;CHEBI:15533 | denotes | -yl |
T80068 | 159-162 | CHEBI:15533;CHEBI:15533 | denotes | oxy |
T36872 | 172-179 | CHEBI:44520;CHEBI:44520 | denotes | methoxy |
T86174 | 179-182 | CHEBI:86228;CHEBI:86228 | denotes | -4- |
T19833 | 182-194 | CHEBI:27798;CHEBI:27798 | denotes | nitrobenzene |
T31704 | 194-197 | CHEBI:86228;CHEBI:86228 | denotes | -1- |
T76634 | 197-208 | CHEBI:35358;CHEBI:35358 | denotes | sulfonamide |
T76816 | 297-309 | CHEBI:38472;CHEBI:38472 | denotes | acetonitrile |
T69796 | 969-972 | CHEBI:36927;CHEBI:36927 | denotes | 13C |
LitCovid-PubTator
Id | Subject | Object | Predicate | Lexical cue | tao:has_database_id |
---|---|---|---|---|---|
1302 | 297-309 | Chemical | denotes | acetonitrile | MESH:C032159 |
1303 | 313-318 | Chemical | denotes | TEAAc | |
1304 | 458-460 | Chemical | denotes | 1H | |
1305 | 475-481 | Chemical | denotes | DMSO‑d | |
1306 | 496-498 | Chemical | denotes | 1H | |
1307 | 510-512 | Chemical | denotes | 1H | |
1308 | 524-526 | Chemical | denotes | 2H | MESH:D003903 |
1309 | 550-552 | Chemical | denotes | 1H | |
1310 | 589-591 | Chemical | denotes | 1H | |
1311 | 607-609 | Chemical | denotes | 2H | MESH:D003903 |
1312 | 625-627 | Chemical | denotes | 2H | MESH:D003903 |
1313 | 664-666 | Chemical | denotes | 1H | |
1314 | 690-692 | Chemical | denotes | 1H | |
1315 | 716-718 | Chemical | denotes | 1H | |
1316 | 734-736 | Chemical | denotes | 1H | |
1317 | 752-754 | Chemical | denotes | 1H | |
1318 | 778-780 | Chemical | denotes | 1H | |
1319 | 796-798 | Chemical | denotes | 1H | |
1320 | 822-824 | Chemical | denotes | 1H | |
1321 | 848-850 | Chemical | denotes | 1H | |
1322 | 867-869 | Chemical | denotes | 1H | |
1323 | 886-888 | Chemical | denotes | 2H | MESH:D003903 |
1324 | 912-914 | Chemical | denotes | 1H | |
1325 | 926-928 | Chemical | denotes | 3H | MESH:D014316 |
1326 | 945-947 | Chemical | denotes | 3H | MESH:D014316 |
1327 | 964-966 | Chemical | denotes | 5H | |
1328 | 1216-1229 | Chemical | denotes | C29H35N12O12S | |
1329 | 1189-1193 | Disease | denotes | HRMS |
LitCovid-PD-CLO
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T391 | 210-212 | http://purl.obolibrary.org/obo/CLO_0053733 | denotes | 11 |
T392 | 270-271 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T393 | 356-358 | http://purl.obolibrary.org/obo/CLO_0053733 | denotes | 11 |
T394 | 388-389 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T395 | 1231-1234 | http://purl.obolibrary.org/obo/CLO_0007706 | denotes | M+H |
LitCovid-PD-CHEBI
Id | Subject | Object | Predicate | Lexical cue | chebi_id |
---|---|---|---|---|---|
T93847 | 23-44 | Chemical | denotes | 6-amino-9H-purin-9-yl | http://purl.obolibrary.org/obo/CHEBI_30756 |
T22848 | 25-30 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T51289 | 71-77 | Chemical | denotes | methyl | http://purl.obolibrary.org/obo/CHEBI_32875|http://purl.obolibrary.org/obo/CHEBI_29309 |
T45430 | 97-118 | Chemical | denotes | 6-amino-9H-purin-9-yl | http://purl.obolibrary.org/obo/CHEBI_30756 |
T85865 | 99-104 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T63263 | 122-129 | Chemical | denotes | hydroxy | http://purl.obolibrary.org/obo/CHEBI_43176 |
T54987 | 133-146 | Chemical | denotes | hydroxymethyl | http://purl.obolibrary.org/obo/CHEBI_24712 |
T56820 | 159-162 | Chemical | denotes | oxy | http://purl.obolibrary.org/obo/CHEBI_29354 |
T33381 | 163-168 | Chemical | denotes | ethyl | http://purl.obolibrary.org/obo/CHEBI_37807|http://purl.obolibrary.org/obo/CHEBI_62801 |
T53334 | 172-179 | Chemical | denotes | methoxy | http://purl.obolibrary.org/obo/CHEBI_32772|http://purl.obolibrary.org/obo/CHEBI_44520 |
T38495 | 182-194 | Chemical | denotes | nitrobenzene | http://purl.obolibrary.org/obo/CHEBI_27798 |
T38841 | 197-208 | Chemical | denotes | sulfonamide | http://purl.obolibrary.org/obo/CHEBI_35358 |
T15782 | 297-309 | Chemical | denotes | acetonitrile | http://purl.obolibrary.org/obo/CHEBI_38472 |
T34792 | 319-325 | Chemical | denotes | buffer | http://purl.obolibrary.org/obo/CHEBI_35225 |
T78354 | 458-460 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T14581 | 475-479 | Chemical | denotes | DMSO | http://purl.obolibrary.org/obo/CHEBI_28262 |
T22965 | 496-498 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T55962 | 510-512 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T48514 | 550-552 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T96071 | 589-591 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T88852 | 664-666 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T38568 | 690-692 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T31277 | 716-718 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T84482 | 734-736 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T30462 | 752-754 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T2044 | 778-780 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T90423 | 796-798 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T6961 | 822-824 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T12338 | 848-850 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T52243 | 867-869 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T81477 | 912-914 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T89255 | 987-991 | Chemical | denotes | DMSO | http://purl.obolibrary.org/obo/CHEBI_28262 |
LitCovid-sentences
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T485 | 0-213 | Sentence | denotes | 4.1.31 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-methoxy-4-nitrobenzene-1-sulfonamide (11) |
T486 | 214-457 | Sentence | denotes | Using method C with 31 (160 mg, 0.15 mmol, 1.00 eq) and a 0–40% linear gradient of acetonitrile in TEAAc buffer 50 mM, pH 7 for purification, 11 (15 mg, 13%) was obtained as a white powder with 98% purity determined by HPLC analysis at 260 nm. |
T487 | 458-968 | Sentence | denotes | 1H NMR (500 MHz, DMSO‑d 6) δ 8.32 (s, 1H), 8.28 (s, 1H), 8.13 (s, 2H), 7.77 (d, J = 9.0 Hz, 1H), 7.44 (dd, J = 8.5 Hz, J = 2.6 Hz, 1H), 7.34 (br. s, 2H), 7.29 (br. s, 2H), 6.99 (dd, J = 9.0 Hz, J = 2.6 Hz, 1H), 5.95 (d, J = 5.2 Hz, 1H), 5.83 (d, J = 5.5 Hz, 1H), 5.65 (br. s, 1H), 5.49 (br. s, 1H), 5.38 (t, J = 5.7 Hz, 1H), 5.27 (br. s, 1H), 4.66 (t, J = 5.2 Hz, 1H), 4.37 (t, J = 5.1 Hz, 1H), 4.33–4.27 (m, 1H), 4.17–4.08 (m, 2H), 3.93 (q, J = 3.6 Hz, 1H), 3.84 (s, 3H), 3.80–3.62 (m, 3H), 3.60–3.37 (m, 5H). |
T488 | 969-1188 | Sentence | denotes | 13C NMR (125 MHz, DMSO‑d 6) δ 156.9, 156.1, 155.9, 152.5, 152.4, 150.6, 149.0, 148.8, 134.0, 139.5, 133.7, 131.0, 119.2, 119.2, 114.4, 107.4, 87.8, 86.2, 85.9, 81.5, 81.4, 72.5, 71.3, 68.9, 66.7, 61.1, 56.8, 50.2, 47.1. |
T489 | 1189-1237 | Sentence | denotes | HRMS (ESI+): m/z calcd for C29H35N12O12S [M+H]+: |
T490 | 1238-1263 | Sentence | denotes | 775.2218, Found 775.2220. |