
PMC:7571312 / 64935-66076
Annnotations
LitCovid-PD-CLO
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T519 | 127-129 | http://purl.obolibrary.org/obo/CLO_0050509 | denotes | 27 |
T520 | 386-387 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T521 | 456-459 | http://purl.obolibrary.org/obo/CLO_0001302 | denotes | 3–4 |
T522 | 987-989 | http://purl.obolibrary.org/obo/CLO_0007874 | denotes | MS |
T523 | 1022-1027 | http://purl.obolibrary.org/obo/CLO_0007706 | denotes | M + H |
LitCovid-PD-CHEBI
Id | Subject | Object | Predicate | Lexical cue | chebi_id |
---|---|---|---|---|---|
T595 | 23-36 | Chemical | denotes | 1H-indol-2-yl | http://purl.obolibrary.org/obo/CHEBI_51611 |
T95039 | 23-25 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T597 | 37-45 | Chemical | denotes | carbonyl | http://purl.obolibrary.org/obo/CHEBI_23019 |
T35315 | 49-55 | Chemical | denotes | leucyl | http://purl.obolibrary.org/obo/CHEBI_32630|http://purl.obolibrary.org/obo/CHEBI_37904 |
T75048 | 56-61 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T12198 | 65-68 | Chemical | denotes | oxo | http://purl.obolibrary.org/obo/CHEBI_46629 |
T94741 | 98-103 | Chemical | denotes | butyl | http://purl.obolibrary.org/obo/CHEBI_41264 |
T603 | 203-210 | Chemical | denotes | methoxy | http://purl.obolibrary.org/obo/CHEBI_32772|http://purl.obolibrary.org/obo/CHEBI_44520 |
T605 | 211-224 | Chemical | denotes | 1H-indol-2-yl | http://purl.obolibrary.org/obo/CHEBI_51611 |
T11750 | 211-213 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T95862 | 225-233 | Chemical | denotes | carbonyl | http://purl.obolibrary.org/obo/CHEBI_23019 |
T35408 | 237-243 | Chemical | denotes | leucyl | http://purl.obolibrary.org/obo/CHEBI_32630|http://purl.obolibrary.org/obo/CHEBI_37904 |
T87533 | 244-249 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T67929 | 253-256 | Chemical | denotes | oxo | http://purl.obolibrary.org/obo/CHEBI_46629 |
T35508 | 286-299 | Chemical | denotes | butyl acetate | http://purl.obolibrary.org/obo/CHEBI_31328 |
T35794 | 286-291 | Chemical | denotes | butyl | http://purl.obolibrary.org/obo/CHEBI_41264 |
T76788 | 292-299 | Chemical | denotes | acetate | http://purl.obolibrary.org/obo/CHEBI_30089|http://purl.obolibrary.org/obo/CHEBI_47622 |
T58822 | 317-342 | Chemical | denotes | 2,6-dimethoxybenzoic acid | http://purl.obolibrary.org/obo/CHEBI_89493 |
T15516 | 338-342 | Chemical | denotes | acid | http://purl.obolibrary.org/obo/CHEBI_37527 |
T15070 | 461-469 | Chemical | denotes | methanol | http://purl.obolibrary.org/obo/CHEBI_17790 |
T64122 | 470-485 | Chemical | denotes | dichloromethane | http://purl.obolibrary.org/obo/CHEBI_15767 |
T81298 | 555-557 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T54533 | 563-567 | Chemical | denotes | DMSO | http://purl.obolibrary.org/obo/CHEBI_28262 |
T622 | 594-596 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T623 | 618-620 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T46651 | 642-644 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T56552 | 656-658 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T79428 | 699-701 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T65113 | 723-725 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T81511 | 747-749 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T81900 | 771-773 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T78670 | 796-798 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T86509 | 821-823 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T57101 | 896-898 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T30991 | 987-989 | Chemical | denotes | MS | http://purl.obolibrary.org/obo/CHEBI_73613 |
T72032 | 1063-1066 | Chemical | denotes | H2O | http://purl.obolibrary.org/obo/CHEBI_15377 |
T70397 | 1072-1077 | Chemical | denotes | CHCl3 | http://purl.obolibrary.org/obo/CHEBI_35255 |
LitCovid-sentences
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T404 | 0-130 | Sentence | denotes | (3S)-3-({N-[(4-Methoxy-1H-indol-2-yl)carbonyl]-l-leucyl}amino)-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl 2,6-Dimethoxybenzoate (27) |
T405 | 131-405 | 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 2,6-dimethoxybenzoic acid and making noncritical variations provided a crude brown foam. |
T406 | 406-554 | Sentence | denotes | This material was purified by Biotage MPLC (25 M, 3–4% methanol/dichloromethane) to afford 169 mg (66%) of the title compound as an off-white solid. |
T407 | 555-1106 | Sentence | denotes | 1H NMR (DMSO-d6) δ 11.58 (d, J = 2 Hz, 1H), 8.55 (d, J = 8 Hz, 1H), 8.45 (d, J = 8 Hz, 1H), 7.64 (s, 1H), 7.40–7.35 (m, 2H), 7.08 (t, J = 8 Hz, 1H), 7.00 (d, J = 8 Hz, 1H), 6.71 (d, J = 8 Hz, 1H), 6.50 (d, J = 8 Hz, 1H), 5.01 (d, J = 16 Hz, 1H), 4.95 (d, J = 16 Hz, 1H), 4.53–4.48 (m, 2H), 3.87 (s, 3H), 3.75 (s, 6H), 3.08 (m, 2H), 2.31 (m, 1H), 2.11–1.90 (m, 2H), 1.75–1.55 (m, 5H), 0.94 (d, J = 8 Hz, 3H), 0.89 (d, J = 8 Hz, 3H); MS (ESI+) for C33H40N4O9m/z 637.2 (M + H)+; anal. calcd for C33H40N4O9·0.25 H2O·0.25 CHCl3: C, 59.51; H, 6.12; N, 8.35. |
T408 | 1107-1141 | Sentence | denotes | Found: C, 59.49; H, 6.08; N, 8.42. |
LitCovid-PubTator
Id | Subject | Object | Predicate | Lexical cue | tao:has_database_id |
---|---|---|---|---|---|
1418 | 317-342 | Chemical | denotes | 2,6-dimethoxybenzoic acid | MESH:C472445 |
1419 | 461-469 | Chemical | denotes | methanol | MESH:D000432 |
1420 | 470-485 | Chemical | denotes | dichloromethane | MESH:D008752 |
1421 | 1047-1057 | Chemical | denotes | C33H40N4O9 | |
1422 | 1063-1066 | Chemical | denotes | H2O | |
1423 | 1072-1077 | Chemical | denotes | CHCl3 | |
1424 | 1079-1080 | Chemical | denotes | C | MESH:D002244 |
1425 | 1098-1099 | Chemical | denotes | N | MESH:D009584 |
1426 | 1114-1115 | Chemical | denotes | C | MESH:D002244 |
1427 | 1133-1134 | Chemical | denotes | N | MESH:D009584 |