PMC:7571312 / 58168-59224
Annnotations
LitCovid-PD-CLO
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T493 | 250-251 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T494 | 900-902 | http://purl.obolibrary.org/obo/CLO_0007874 | denotes | MS |
T495 | 937-942 | http://purl.obolibrary.org/obo/CLO_0007706 | denotes | M + H |
LitCovid-PD-CHEBI
Id | Subject | Object | Predicate | Lexical cue | chebi_id |
---|---|---|---|---|---|
T351 | 72-79 | Chemical | denotes | methoxy | http://purl.obolibrary.org/obo/CHEBI_32772|http://purl.obolibrary.org/obo/CHEBI_44520 |
T35648 | 80-93 | Chemical | denotes | 1H-indol-2-yl | http://purl.obolibrary.org/obo/CHEBI_51611 |
T14380 | 80-82 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T47527 | 94-102 | Chemical | denotes | carbonyl | http://purl.obolibrary.org/obo/CHEBI_23019 |
T17117 | 106-112 | Chemical | denotes | leucyl | http://purl.obolibrary.org/obo/CHEBI_32630|http://purl.obolibrary.org/obo/CHEBI_37904 |
T89113 | 113-118 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T12500 | 122-125 | Chemical | denotes | oxo | http://purl.obolibrary.org/obo/CHEBI_46629 |
T40611 | 155-168 | Chemical | denotes | butyl acetate | http://purl.obolibrary.org/obo/CHEBI_31328 |
T53583 | 155-160 | Chemical | denotes | butyl | http://purl.obolibrary.org/obo/CHEBI_41264 |
T85901 | 161-168 | Chemical | denotes | acetate | http://purl.obolibrary.org/obo/CHEBI_30089|http://purl.obolibrary.org/obo/CHEBI_47622 |
T87477 | 186-206 | Chemical | denotes | 4-chlorobenzoic acid | http://purl.obolibrary.org/obo/CHEBI_30747 |
T31167 | 188-206 | Chemical | denotes | chlorobenzoic acid | http://purl.obolibrary.org/obo/CHEBI_23134|http://purl.obolibrary.org/obo/CHEBI_51967 |
T53497 | 202-206 | Chemical | denotes | acid | http://purl.obolibrary.org/obo/CHEBI_37527 |
T3423 | 326-334 | Chemical | denotes | methanol | http://purl.obolibrary.org/obo/CHEBI_17790 |
T369 | 335-350 | Chemical | denotes | dichloromethane | http://purl.obolibrary.org/obo/CHEBI_15767 |
T64316 | 398-400 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T371 | 415-419 | Chemical | denotes | DMSO | http://purl.obolibrary.org/obo/CHEBI_28262 |
T372 | 448-450 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T9840 | 474-476 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T53167 | 500-502 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T48220 | 540-542 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T80277 | 592-594 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T57111 | 618-620 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T378 | 644-646 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T68385 | 670-672 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T89225 | 696-698 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T381 | 715-717 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T42226 | 786-788 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T383 | 805-807 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T62942 | 824-826 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T385 | 900-902 | Chemical | denotes | MS | http://purl.obolibrary.org/obo/CHEBI_73613 |
T5217 | 980-983 | Chemical | denotes | H2O | http://purl.obolibrary.org/obo/CHEBI_15377 |
T387 | 989-992 | Chemical | denotes | DCM | http://purl.obolibrary.org/obo/CHEBI_15767 |
LitCovid-sentences
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T372 | 0-266 | 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-chlorobenzoic acid and making noncritical variations provided a crude product. |
T373 | 267-397 | Sentence | denotes | This material was purified by Biotage MPLC (25 M, 2.5–4.5% methanol/dichloromethane) to afford 172 mg (80%) of the title compound. |
T374 | 398-945 | Sentence | denotes | 1H NMR (400 MHz, DMSO-d6) δ 11.58 (d, J = 1.8 Hz, 1H), 8.63 (d, J = 7.8 Hz, 1H), 8.46 (d, J = 7.6 Hz, 1H), 7.98 (d, J = 8.6 Hz, 2H), 7.65 (s, 1H), 7.62 (d, J = 8.6 Hz, 2H), 7.37 (d, J = 1.8 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), 5.13 (d, J = 1.5 Hz, 1H), 5.07–5.23 (m, 1H), 4.44–4.52 (m, 2H), 3.87 (s, 3H), 3.04–3.14 (m, 2H), 2.28–2.38 (m, 1H), 2.06–2.26 (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 C31H35ClN4O7m/z 611.1 (M + H)+. |
T375 | 946-1021 | Sentence | denotes | Anal. calcd for C31H35ClN4O7·0.72 H2O·0.05 DCM: C, 59.36; H, 5.86; N, 8.92. |
T376 | 1022-1056 | Sentence | denotes | Found: C, 59.31; H, 5.99; N, 9.23. |
LitCovid-PD-HP
Id | Subject | Object | Predicate | Lexical cue | hp_id |
---|---|---|---|---|---|
T10 | 989-992 | Phenotype | denotes | DCM | http://purl.obolibrary.org/obo/HP_0001644 |
LitCovid-PubTator
Id | Subject | Object | Predicate | Lexical cue | tao:has_database_id |
---|---|---|---|---|---|
1296 | 186-206 | Chemical | denotes | 4-chlorobenzoic acid | MESH:C040768 |
1297 | 326-334 | Chemical | denotes | methanol | MESH:D000432 |
1298 | 335-350 | Chemical | denotes | dichloromethane | MESH:D008752 |
1299 | 962-974 | Chemical | denotes | C31H35ClN4O7 | |
1300 | 980-983 | Chemical | denotes | H2O | |
1301 | 989-992 | Chemical | denotes | DCM | MESH:D008752 |
1302 | 994-995 | Chemical | denotes | C | MESH:D002244 |
1303 | 1013-1014 | Chemical | denotes | N | MESH:D009584 |
1304 | 1029-1030 | Chemical | denotes | C | MESH:D002244 |
1305 | 1048-1049 | Chemical | denotes | N | MESH:D009584 |