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PMC:7571312 / 56887-58040
Annnotations
LitCovid-PD-CLO
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T490 | 376-377 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T491 | 999-1001 | http://purl.obolibrary.org/obo/CLO_0007874 | denotes | MS |
T492 | 1035-1040 | http://purl.obolibrary.org/obo/CLO_0007706 | denotes | M + H |
LitCovid-PD-CHEBI
Id | Subject | Object | Predicate | Lexical cue | chebi_id |
---|---|---|---|---|---|
T32873 | 23-36 | Chemical | denotes | 1H-indol-2-yl | http://purl.obolibrary.org/obo/CHEBI_51611 |
T23379 | 23-25 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T37336 | 37-45 | Chemical | denotes | carbonyl | http://purl.obolibrary.org/obo/CHEBI_23019 |
T2370 | 49-55 | Chemical | denotes | leucyl | http://purl.obolibrary.org/obo/CHEBI_32630|http://purl.obolibrary.org/obo/CHEBI_37904 |
T73933 | 56-61 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T50653 | 65-68 | Chemical | denotes | oxo | http://purl.obolibrary.org/obo/CHEBI_46629 |
T42320 | 98-103 | Chemical | denotes | butyl | http://purl.obolibrary.org/obo/CHEBI_41264 |
T81899 | 104-120 | Chemical | denotes | 4-Fluorobenzoate | http://purl.obolibrary.org/obo/CHEBI_27893 |
T9552 | 198-205 | Chemical | denotes | methoxy | http://purl.obolibrary.org/obo/CHEBI_32772|http://purl.obolibrary.org/obo/CHEBI_44520 |
T310 | 206-219 | Chemical | denotes | 1H-indol-2-yl | http://purl.obolibrary.org/obo/CHEBI_51611 |
T32526 | 206-208 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T40996 | 220-228 | Chemical | denotes | carbonyl | http://purl.obolibrary.org/obo/CHEBI_23019 |
T9241 | 232-238 | Chemical | denotes | leucyl | http://purl.obolibrary.org/obo/CHEBI_32630|http://purl.obolibrary.org/obo/CHEBI_37904 |
T57936 | 239-244 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T64563 | 248-251 | Chemical | denotes | oxo | http://purl.obolibrary.org/obo/CHEBI_46629 |
T79903 | 281-294 | Chemical | denotes | butyl acetate | http://purl.obolibrary.org/obo/CHEBI_31328 |
T318 | 281-286 | Chemical | denotes | butyl | http://purl.obolibrary.org/obo/CHEBI_41264 |
T27698 | 287-294 | Chemical | denotes | acetate | http://purl.obolibrary.org/obo/CHEBI_30089|http://purl.obolibrary.org/obo/CHEBI_47622 |
T7101 | 312-332 | Chemical | denotes | 4-fluorobenzoic acid | http://purl.obolibrary.org/obo/CHEBI_20364 |
T51290 | 314-332 | Chemical | denotes | fluorobenzoic acid | http://purl.obolibrary.org/obo/CHEBI_24071 |
T28381 | 328-332 | Chemical | denotes | acid | http://purl.obolibrary.org/obo/CHEBI_37527 |
T46812 | 452-460 | Chemical | denotes | methanol | http://purl.obolibrary.org/obo/CHEBI_17790 |
T60273 | 461-476 | Chemical | denotes | dichloromethane | http://purl.obolibrary.org/obo/CHEBI_15767 |
T326 | 524-526 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T88966 | 541-545 | Chemical | denotes | DMSO | http://purl.obolibrary.org/obo/CHEBI_28262 |
T328 | 574-576 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T25584 | 600-602 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T53007 | 626-628 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T39591 | 672-674 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T22988 | 717-719 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T45786 | 743-745 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T4900 | 769-771 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T97125 | 795-797 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T24094 | 814-816 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T42946 | 885-887 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T56337 | 904-906 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T14470 | 923-925 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T1882 | 999-1001 | Chemical | denotes | MS | http://purl.obolibrary.org/obo/CHEBI_73613 |
T64203 | 1077-1080 | Chemical | denotes | H2O | http://purl.obolibrary.org/obo/CHEBI_15377 |
T20111 | 1086-1089 | Chemical | denotes | DCM | http://purl.obolibrary.org/obo/CHEBI_15767 |
LitCovid-sentences
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T365 | 0-125 | Sentence | denotes | (3S)-3-({N-[(4-Methoxy-1H-indol-2-yl)carbonyl]-l-leucyl}amino)-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl 4-Fluorobenzoate (20) |
T366 | 126-392 | Sentence | denotes | Following the procedure described for the preparation of (3S)-3-({N-[(4-methoxy-1H-indol-2-yl)carbonyl]-l-leucyl}amino)-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl acetate but substituting 4-fluorobenzoic acid and making noncritical variations provided a crude product. |
T367 | 393-523 | Sentence | denotes | This material was purified by Biotage MPLC (25 M, 2.5–4.5% methanol/dichloromethane) to afford 136 mg (65%) of the title compound. |
T368 | 524-1043 | Sentence | denotes | 1H NMR (400 MHz, DMSO-d6) δ 11.58 (d, J = 2.0 Hz, 1H), 8.63 (d, J = 7.8 Hz, 1H), 8.46 (d, J = 7.6 Hz, 1H), 8.04 (dd, J = 8.6, 5.6 Hz, 2H), 7.65 (s, 1H), 7.35–7.41 (m, 3H), 7.08 (t, J = 8.0 Hz, 1H), 6.99 (d, J = 8.1 Hz, 1H), 6.50 (d, J = 7.6 Hz, 1H), 5.12 (d, J = 1.3 Hz, 1H), 5.06–5.23 (m, 1H), 4.44–4.52 (m, 2H), 3.87 (s, 3H), 3.04–3.17 (m, 2H), 2.28–2.38 (m, 1H), 2.07–2.26 (m, 1H), 1.98–2.06 (m, 1H), 1.52–1.79 (m, 5H), 0.94 (d, J = 6.3 Hz, 3H), 0.89 (d, J = 6.3 Hz, 3H); MS (ESI+) for C31H35FN4O7m/z 595.2 (M + H)+. |
T369 | 1044-1118 | Sentence | denotes | Anal. calcd for C31H35FN4O7·0.59 H2O·0.06 DCM: C, 61.28; H, 5.98; N, 9.20. |
T370 | 1119-1153 | Sentence | denotes | Found: C, 61.27; H, 5.98; N, 9.11. |
LitCovid-PD-HP
Id | Subject | Object | Predicate | Lexical cue | hp_id |
---|---|---|---|---|---|
T9 | 1086-1089 | Phenotype | denotes | DCM | http://purl.obolibrary.org/obo/HP_0001644 |
LitCovid-PubTator
Id | Subject | Object | Predicate | Lexical cue | tao:has_database_id |
---|---|---|---|---|---|
1276 | 312-332 | Chemical | denotes | 4-fluorobenzoic acid | MESH:C022893 |
1277 | 452-460 | Chemical | denotes | methanol | MESH:D000432 |
1278 | 461-476 | Chemical | denotes | dichloromethane | MESH:D008752 |
1279 | 1060-1071 | Chemical | denotes | C31H35FN4O7 | |
1280 | 1077-1080 | Chemical | denotes | H2O | |
1281 | 1086-1089 | Chemical | denotes | DCM | MESH:D008752 |
1282 | 1091-1092 | Chemical | denotes | C | MESH:D002244 |
1283 | 1110-1111 | Chemical | denotes | N | MESH:D009584 |
1284 | 1126-1127 | Chemical | denotes | C | MESH:D002244 |
1285 | 1145-1146 | Chemical | denotes | N | MESH:D009584 |