PMC:7291971 / 82396-83725
Annnotations
LitCovid-PMC-OGER-BB
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T1640 | 63-64 | CHEBI:30756;CHEBI:30756 | denotes | - |
T1641 | 69-72 | CHEBI:30756;CHEBI:30756 | denotes | -9H |
T1642 | 73-83 | CHEBI:30756;CHEBI:30756 | denotes | purin-9-yl |
T1643 | 85-87 | CHEBI:34018;CHEBI:34018 | denotes | 4- |
T1644 | 87-94 | CHEBI:43176;CHEBI:43176 | denotes | hydroxy |
T1645 | 98-111 | CHEBI:24712;CHEBI:24712 | denotes | hydroxymethyl |
T1646 | 112-118 | CHEBI:26911;CHEBI:26911 | denotes | oxolan |
T1647 | 118-119 | CHEBI:15533;CHEBI:15533 | denotes | - |
T1648 | 119-120 | CHEBI:53233;CHEBI:53233 | denotes | 3 |
T1649 | 120-123 | CHEBI:15533;CHEBI:15533 | denotes | -yl |
T1650 | 123-124 | CHEBI:53233;CHEBI:53233 | denotes | ] |
T1651 | 124-127 | CHEBI:29354;CHEBI:29354 | denotes | oxy |
T1652 | 128-133 | CHEBI:37807;CHEBI:37807 | denotes | ethyl |
T1653 | 136-138 | CHEBI:86228;CHEBI:86228 | denotes | 4- |
T1654 | 138-144 | CHEBI:47853;CHEBI:47853 | denotes | chloro |
T1655 | 144-158 | CHEBI:86228;CHEBI:86228 | denotes | -3-nitrophenyl |
T1656 | 159-165 | CHEBI:29309;CHEBI:29309 | denotes | methyl |
T1657 | 166-171 | CHEBI:46882;CHEBI:46882 | denotes | amino |
T1658 | 172-178 | CHEBI:29309;CHEBI:29309 | denotes | methyl |
T1659 | 179-186 | CHEBI:26911;CHEBI:26911 | denotes | oxolane |
T1660 | 187-189 | CHEBI:52029;CHEBI:52029 | denotes | 3, |
T1661 | 189-191 | CHEBI:53233;CHEBI:53233 | denotes | 4- |
T1662 | 191-195 | CHEBI:23824;CHEBI:23824 | denotes | diol |
T1663 | 284-296 | CHEBI:38472;CHEBI:38472 | denotes | acetonitrile |
T1664 | 1037-1040 | CHEBI:36927;CHEBI:36927 | denotes | 13C |
T41134 | 63-64 | CHEBI:30756;CHEBI:30756 | denotes | - |
T27334 | 69-72 | CHEBI:30756;CHEBI:30756 | denotes | -9H |
T20136 | 73-83 | CHEBI:30756;CHEBI:30756 | denotes | purin-9-yl |
T73618 | 85-87 | CHEBI:34018;CHEBI:34018 | denotes | 4- |
T76408 | 87-94 | CHEBI:43176;CHEBI:43176 | denotes | hydroxy |
T70567 | 98-111 | CHEBI:24712;CHEBI:24712 | denotes | hydroxymethyl |
T85384 | 112-118 | CHEBI:26911;CHEBI:26911 | denotes | oxolan |
T6101 | 118-119 | CHEBI:15533;CHEBI:15533 | denotes | - |
T32228 | 119-120 | CHEBI:53233;CHEBI:53233 | denotes | 3 |
T62461 | 120-123 | CHEBI:15533;CHEBI:15533 | denotes | -yl |
T28904 | 123-124 | CHEBI:53233;CHEBI:53233 | denotes | ] |
T40535 | 124-127 | CHEBI:29354;CHEBI:29354 | denotes | oxy |
T45088 | 128-133 | CHEBI:37807;CHEBI:37807 | denotes | ethyl |
T66662 | 136-138 | CHEBI:86228;CHEBI:86228 | denotes | 4- |
T71841 | 138-144 | CHEBI:47853;CHEBI:47853 | denotes | chloro |
T70937 | 144-158 | CHEBI:86228;CHEBI:86228 | denotes | -3-nitrophenyl |
T41213 | 159-165 | CHEBI:29309;CHEBI:29309 | denotes | methyl |
T22878 | 166-171 | CHEBI:46882;CHEBI:46882 | denotes | amino |
T6558 | 172-178 | CHEBI:29309;CHEBI:29309 | denotes | methyl |
T11187 | 179-186 | CHEBI:26911;CHEBI:26911 | denotes | oxolane |
T58590 | 187-189 | CHEBI:52029;CHEBI:52029 | denotes | 3, |
T86321 | 189-191 | CHEBI:53233;CHEBI:53233 | denotes | 4- |
T9071 | 191-195 | CHEBI:23824;CHEBI:23824 | denotes | diol |
T84625 | 284-296 | CHEBI:38472;CHEBI:38472 | denotes | acetonitrile |
T93629 | 1037-1040 | CHEBI:36927;CHEBI:36927 | denotes | 13C |
LitCovid-PubTator
Id | Subject | Object | Predicate | Lexical cue | tao:has_database_id |
---|---|---|---|---|---|
1556 | 284-296 | Chemical | denotes | acetonitrile | MESH:C032159 |
1557 | 300-305 | Chemical | denotes | TEAAc | |
1558 | 445-447 | Chemical | denotes | 1H | |
1559 | 462-468 | Chemical | denotes | DMSO‑d | |
1560 | 483-485 | Chemical | denotes | 1H | |
1561 | 497-499 | Chemical | denotes | 1H | |
1562 | 511-513 | Chemical | denotes | 1H | |
1563 | 525-527 | Chemical | denotes | 1H | |
1564 | 551-553 | Chemical | denotes | 1H | |
1565 | 577-579 | Chemical | denotes | 1H | |
1566 | 616-618 | Chemical | denotes | 1H | |
1567 | 634-636 | Chemical | denotes | 2H | MESH:D003903 |
1568 | 652-654 | Chemical | denotes | 2H | MESH:D003903 |
1569 | 678-680 | Chemical | denotes | 1H | |
1570 | 704-706 | Chemical | denotes | 1H | |
1571 | 723-725 | Chemical | denotes | 2H | MESH:D003903 |
1572 | 1255-1259 | Disease | denotes | HRMS | |
1573 | 1282-1291 | CellLine | denotes | C29H34N12 | CVCL:0189 |
LitCovid-PD-CLO
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T433 | 221-223 | http://purl.obolibrary.org/obo/CLO_0001000 | denotes | 35 |
T434 | 257-258 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T435 | 375-376 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T436 | 1297-1300 | http://purl.obolibrary.org/obo/CLO_0007706 | denotes | M+H |
LitCovid-PD-CHEBI
Id | Subject | Object | Predicate | Lexical cue | chebi_id |
---|---|---|---|---|---|
T86710 | 19-40 | Chemical | denotes | 6-amino-9H-purin-9-yl | http://purl.obolibrary.org/obo/CHEBI_30756 |
T27946 | 21-26 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T88225 | 62-83 | Chemical | denotes | 6-amino-9H-purin-9-yl | http://purl.obolibrary.org/obo/CHEBI_30756 |
T59442 | 64-69 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T63219 | 87-94 | Chemical | denotes | hydroxy | http://purl.obolibrary.org/obo/CHEBI_43176 |
T81617 | 98-111 | Chemical | denotes | hydroxymethyl | http://purl.obolibrary.org/obo/CHEBI_24712 |
T879 | 124-127 | Chemical | denotes | oxy | http://purl.obolibrary.org/obo/CHEBI_29354 |
T43726 | 128-133 | Chemical | denotes | ethyl | http://purl.obolibrary.org/obo/CHEBI_37807|http://purl.obolibrary.org/obo/CHEBI_62801 |
T90371 | 138-144 | Chemical | denotes | chloro | http://purl.obolibrary.org/obo/CHEBI_47853 |
T8173 | 159-165 | Chemical | denotes | methyl | http://purl.obolibrary.org/obo/CHEBI_32875|http://purl.obolibrary.org/obo/CHEBI_29309 |
T14707 | 166-171 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T886 | 172-178 | Chemical | denotes | methyl | http://purl.obolibrary.org/obo/CHEBI_32875|http://purl.obolibrary.org/obo/CHEBI_29309 |
T7921 | 179-186 | Chemical | denotes | oxolane | http://purl.obolibrary.org/obo/CHEBI_26911 |
T64135 | 191-195 | Chemical | denotes | diol | http://purl.obolibrary.org/obo/CHEBI_23824 |
T33619 | 284-296 | Chemical | denotes | acetonitrile | http://purl.obolibrary.org/obo/CHEBI_38472 |
T65501 | 306-312 | Chemical | denotes | buffer | http://purl.obolibrary.org/obo/CHEBI_35225 |
T98605 | 445-447 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T15635 | 462-466 | Chemical | denotes | DMSO | http://purl.obolibrary.org/obo/CHEBI_28262 |
T86380 | 483-485 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T23466 | 497-499 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T27783 | 511-513 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T5803 | 525-527 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T88932 | 551-553 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T47259 | 577-579 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T12853 | 616-618 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T31063 | 678-680 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T68349 | 704-706 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T97689 | 741-743 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T19922 | 759-761 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T74221 | 785-787 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T15952 | 824-826 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T45027 | 850-852 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T58681 | 876-878 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T91299 | 973-975 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T20981 | 1013-1015 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T94908 | 1055-1059 | Chemical | denotes | DMSO | http://purl.obolibrary.org/obo/CHEBI_28262 |
LitCovid-sentences
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T546 | 0-200 | Sentence | denotes | 4.1.38 (2R,5R)-2-(6-amino-9H-purin-9-yl)-5-{[(2-{[(2R,5R)-2-(6-amino-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy}ethyl)[(4-chloro-3-nitrophenyl)methyl]amino]methyl}oxolane-3,4-diol (15) |
T547 | 201-444 | Sentence | denotes | Using method C with 35 (140 mg, 0.14 mmol, 1.00 eq) and a 0–40% linear gradient of acetonitrile in TEAAc buffer 50 mM, pH 7 for purification, 15 (25 mg, 25%) was obtained as a white powder with 99% purity determined by HPLC analysis at 260 nm. |
T548 | 445-1036 | Sentence | denotes | 1H NMR (600 MHz, DMSO‑d 6) δ 8.35 (s, 1H), 8.23 (s, 1H), 8.11 (s, 1H), 8.07 (s, 1H), 7.89 (d, J = 1.9 Hz, 1H), 7.50 (d, J = 8.3 Hz, 1H), 7.45 (dd, J = 8.3 Hz, J = 2.0 Hz, 1H), 7.32 (br. s, 2H), 7.24 (br. s, 2H), 5.99 (d, J = 5.9 Hz, 1H), 5.83 (d, J = 5.1 Hz, 1H), 5.51–5.32 (m, 2H), 5.24 (br. s, 1H), 5.13 (br. s, 1H), 4.57 (t, J = 5.2 Hz, 1H), 4.45 (dd, J = 6.1 Hz, J = 4.8 Hz, 1H), 4.30 (t, J = 4.1 Hz, 1H), 4.05 (t, J = 5.0 Hz, 1H), 4.02–3.95 (m, 2H), 3.73–3.63 (m, 4H), 3.58–3.51 (m, 2H), 2.83 (dd, J = 14.0 Hz, J = 4.4 Hz, 1H), 2.73 (dd, J = 14.0 Hz, J = 7.2 Hz, 1H), 2.69–2.63 (m, 2H). |
T549 | 1037-1254 | Sentence | denotes | 13C NMR (150 MHz, DMSO‑d 6) δ 156.1, 156.0, 152.5 (2C), 149.3, 148.9, 147.2, 140.1, 139.8, 139.6, 133.7, 131.0, 125.0, 122.9, 119.3, 119.2, 87.8, 86.2, 86.1, 82.2, 81.3, 72.4, 71.8, 68.9, 68.1, 61.3, 56.8, 56.0, 53.0. |
T550 | 1255-1303 | Sentence | denotes | HRMS (ESI+): m/z calcd for C29H34N12O9Cl [M+H]+: |
T551 | 1304-1329 | Sentence | denotes | 729.2255, Found 729.2256. |