PMC:7571312 / 55730-56885
Annnotations
LitCovid-PD-CLO
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T487 | 374-375 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T488 | 1010-1012 | http://purl.obolibrary.org/obo/CLO_0007874 | denotes | MS |
T489 | 1045-1050 | http://purl.obolibrary.org/obo/CLO_0007706 | denotes | M + H |
LitCovid-PD-CHEBI
Id | Subject | Object | Predicate | Lexical cue | chebi_id |
---|---|---|---|---|---|
T94285 | 23-36 | Chemical | denotes | 1H-indol-2-yl | http://purl.obolibrary.org/obo/CHEBI_51611 |
T78521 | 23-25 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T98598 | 37-45 | Chemical | denotes | carbonyl | http://purl.obolibrary.org/obo/CHEBI_23019 |
T78187 | 49-55 | Chemical | denotes | leucyl | http://purl.obolibrary.org/obo/CHEBI_32630|http://purl.obolibrary.org/obo/CHEBI_37904 |
T8644 | 56-61 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T93744 | 65-68 | Chemical | denotes | oxo | http://purl.obolibrary.org/obo/CHEBI_46629 |
T10728 | 98-103 | Chemical | denotes | butyl | http://purl.obolibrary.org/obo/CHEBI_41264 |
T6645 | 197-204 | Chemical | denotes | methoxy | http://purl.obolibrary.org/obo/CHEBI_32772|http://purl.obolibrary.org/obo/CHEBI_44520 |
T24935 | 205-218 | Chemical | denotes | 1H-indol-2-yl | http://purl.obolibrary.org/obo/CHEBI_51611 |
T51772 | 205-207 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T11518 | 219-227 | Chemical | denotes | carbonyl | http://purl.obolibrary.org/obo/CHEBI_23019 |
T90153 | 231-237 | Chemical | denotes | leucyl | http://purl.obolibrary.org/obo/CHEBI_32630|http://purl.obolibrary.org/obo/CHEBI_37904 |
T51491 | 238-243 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T274 | 247-250 | Chemical | denotes | oxo | http://purl.obolibrary.org/obo/CHEBI_46629 |
T275 | 280-293 | Chemical | denotes | butyl acetate | http://purl.obolibrary.org/obo/CHEBI_31328 |
T1127 | 280-285 | Chemical | denotes | butyl | http://purl.obolibrary.org/obo/CHEBI_41264 |
T277 | 286-293 | Chemical | denotes | acetate | http://purl.obolibrary.org/obo/CHEBI_30089|http://purl.obolibrary.org/obo/CHEBI_47622 |
T90786 | 326-330 | Chemical | denotes | acid | http://purl.obolibrary.org/obo/CHEBI_37527 |
T9344 | 450-458 | Chemical | denotes | methanol | http://purl.obolibrary.org/obo/CHEBI_17790 |
T77856 | 459-474 | Chemical | denotes | dichloromethane | http://purl.obolibrary.org/obo/CHEBI_15767 |
T282 | 522-524 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T23848 | 539-543 | Chemical | denotes | DMSO | http://purl.obolibrary.org/obo/CHEBI_28262 |
T17625 | 572-574 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T285 | 598-600 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T76411 | 624-626 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T22480 | 676-678 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T20382 | 702-704 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T289 | 728-730 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T23836 | 754-756 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T31815 | 780-782 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T292 | 806-808 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T87127 | 825-827 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T93964 | 896-898 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T91601 | 915-917 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T93656 | 934-936 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T26375 | 1010-1012 | Chemical | denotes | MS | http://purl.obolibrary.org/obo/CHEBI_73613 |
T77524 | 1086-1089 | Chemical | denotes | H2O | http://purl.obolibrary.org/obo/CHEBI_15377 |
LitCovid-sentences
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T359 | 0-124 | 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-Cyanobenzoate (19) |
T360 | 125-390 | 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-cyanobenzoic acid and making noncritical variations provided a crude product. |
T361 | 391-521 | Sentence | denotes | This material was purified by Biotage MPLC (25 M, 2.5–4.5% methanol/dichloromethane) to afford 159 mg (75%) of the title compound. |
T362 | 522-1053 | Sentence | denotes | 1H NMR (400 MHz, DMSO-d6) δ 11.58 (d, J = 2.0 Hz, 1H), 8.64 (d, J = 8.1 Hz, 1H), 8.46 (d, J = 7.6 Hz, 1H), 8.09–8.14 (m, 2H), 7.99–8.05 (m, 2H), 7.66 (s, 1H), 7.37 (d, J = 1.5 Hz, 1H), 7.08 (t, J = 8.0 Hz, 1H), 6.99 (d, J = 8.3 Hz, 1H), 6.50 (d, J = 7.6 Hz, 1H), 5.17 (d, J = 2.8 Hz, 1H), 5.11–5.27 (m, 1H), 4.44–4.53 (m, 2H), 3.87 (s, 3H), 3.04–3.17 (m, 2H), 2.28–2.38 (m, 1H), 2.07–2.26 (m, 1H), 1.97–2.06 (m, 1H), 1.51–1.78 (m, 5H), 0.94 (d, J = 6.3 Hz, 3H), 0.89 (d, J = 6.3 Hz, 3H); MS (ESI+) for C32H35N5O7m/z 602.2 (M + H)+. |
T363 | 1054-1119 | Sentence | denotes | Anal. calcd for C32H35N5O7·0.90 H2O: C, 62.21; H, 6.00; N, 11.33. |
T364 | 1120-1155 | Sentence | denotes | Found: C, 62.23; H, 6.06; N, 11.58. |
LitCovid-PubTator
Id | Subject | Object | Predicate | Lexical cue | tao:has_database_id |
---|---|---|---|---|---|
1257 | 311-330 | Chemical | denotes | 4-cyanobenzoic acid | MESH:C097383 |
1258 | 450-458 | Chemical | denotes | methanol | MESH:D000432 |
1259 | 459-474 | Chemical | denotes | dichloromethane | MESH:D008752 |
1260 | 1070-1080 | Chemical | denotes | C32H35N5O7 | |
1261 | 1086-1089 | Chemical | denotes | H2O | |
1262 | 1091-1092 | Chemical | denotes | C | MESH:D002244 |
1263 | 1110-1111 | Chemical | denotes | N | MESH:D009584 |
1264 | 1127-1128 | Chemical | denotes | C | MESH:D002244 |
1265 | 1146-1147 | Chemical | denotes | N | MESH:D009584 |