PMC:7291971 / 60008-61004
Annnotations
LitCovid-PMC-OGER-BB
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T1197 | 50-82 | CHEBI:53233;CHEBI:53233 | denotes | dimethyl-tetrahydro-2H-furo[3,4- |
T1198 | 86-87 | CHEBI:53233;CHEBI:53233 | denotes | 1 |
T1199 | 87-89 | CHEBI:52029;CHEBI:52029 | denotes | ,3 |
T1200 | 89-102 | CHEBI:53233;CHEBI:53233 | denotes | ]dioxol-4-yl] |
T1201 | 102-108 | CHEBI:16625;CHEBI:16625 | denotes | methyl |
T1202 | 110-112 | CHEBI:53233;CHEBI:53233 | denotes | 4- |
T1203 | 112-119 | CHEBI:44520;CHEBI:44520 | denotes | methoxy |
T1204 | 119-122 | CHEBI:86228;CHEBI:86228 | denotes | -2- |
T1205 | 122-134 | CHEBI:27798;CHEBI:27798 | denotes | nitrobenzene |
T1206 | 134-137 | CHEBI:86228;CHEBI:86228 | denotes | -1- |
T1207 | 137-148 | CHEBI:35358;CHEBI:35358 | denotes | sulfonamide |
T1208 | 178-180 | CHEBI:75508;CHEBI:75508 | denotes | 5′ |
T1209 | 180-181 | CHEBI:50217;CHEBI:50217 | denotes | - |
T1210 | 181-186 | CHEBI:46882;CHEBI:46882 | denotes | amino |
T1211 | 186-188 | CHEBI:50217;CHEBI:50217 | denotes | -2 |
T1212 | 188-207 | CHEBI:53250;CHEBI:53250 | denotes | ′,3′-isopropylidene |
T1213 | 208-217 | CHEBI:22260;CHEBI:22260 | denotes | adenosine |
T1214 | 251-253 | CHEBI:86228;CHEBI:86228 | denotes | 4- |
T1215 | 253-260 | CHEBI:44520;CHEBI:44520 | denotes | methoxy |
T1216 | 260-282 | CHEBI:86228;CHEBI:86228 | denotes | -2-nitrobenzenesufonyl |
T1217 | 283-291 | CHEBI:17996;CHEBI:17996 | denotes | chloride |
T1218 | 355-359 | CHEBI:32145;CHEBI:32145 | denotes | MeOH |
T1219 | 762-765 | CHEBI:36927;CHEBI:36927 | denotes | 13C |
T14444 | 50-82 | CHEBI:53233;CHEBI:53233 | denotes | dimethyl-tetrahydro-2H-furo[3,4- |
T86614 | 86-87 | CHEBI:53233;CHEBI:53233 | denotes | 1 |
T55502 | 87-89 | CHEBI:52029;CHEBI:52029 | denotes | ,3 |
T27030 | 89-102 | CHEBI:53233;CHEBI:53233 | denotes | ]dioxol-4-yl] |
T26242 | 102-108 | CHEBI:16625;CHEBI:16625 | denotes | methyl |
T17678 | 110-112 | CHEBI:53233;CHEBI:53233 | denotes | 4- |
T59084 | 112-119 | CHEBI:44520;CHEBI:44520 | denotes | methoxy |
T86083 | 119-122 | CHEBI:86228;CHEBI:86228 | denotes | -2- |
T44502 | 122-134 | CHEBI:27798;CHEBI:27798 | denotes | nitrobenzene |
T30124 | 134-137 | CHEBI:86228;CHEBI:86228 | denotes | -1- |
T12702 | 137-148 | CHEBI:35358;CHEBI:35358 | denotes | sulfonamide |
T43724 | 178-180 | CHEBI:75508;CHEBI:75508 | denotes | 5′ |
T15754 | 180-181 | CHEBI:50217;CHEBI:50217 | denotes | - |
T15605 | 181-186 | CHEBI:46882;CHEBI:46882 | denotes | amino |
T66517 | 186-188 | CHEBI:50217;CHEBI:50217 | denotes | -2 |
T51285 | 188-207 | CHEBI:53250;CHEBI:53250 | denotes | ′,3′-isopropylidene |
T60654 | 208-217 | CHEBI:22260;CHEBI:22260 | denotes | adenosine |
T59959 | 251-253 | CHEBI:86228;CHEBI:86228 | denotes | 4- |
T71386 | 253-260 | CHEBI:44520;CHEBI:44520 | denotes | methoxy |
T64311 | 260-282 | CHEBI:86228;CHEBI:86228 | denotes | -2-nitrobenzenesufonyl |
T25560 | 283-291 | CHEBI:17996;CHEBI:17996 | denotes | chloride |
T12660 | 355-359 | CHEBI:32145;CHEBI:32145 | denotes | MeOH |
T35215 | 762-765 | CHEBI:36927;CHEBI:36927 | denotes | 13C |
LitCovid-PubTator
Id | Subject | Object | Predicate | Lexical cue | tao:has_database_id |
---|---|---|---|---|---|
1051 | 208-217 | Chemical | denotes | adenosine | MESH:D000241 |
1052 | 251-291 | Chemical | denotes | 4-methoxy-2-nitrobenzenesufonyl chloride | |
1053 | 355-359 | Chemical | denotes | MeOH | |
1054 | 360-363 | Chemical | denotes | DCM | |
1055 | 366-368 | Chemical | denotes | 1H | |
1056 | 383-391 | Chemical | denotes | DMSO‑d 6 | |
1057 | 416-418 | Chemical | denotes | 1H | |
1058 | 430-432 | Chemical | denotes | 1H | |
1059 | 444-446 | Chemical | denotes | 1H | |
1060 | 470-472 | Chemical | denotes | 1H | |
1061 | 496-498 | Chemical | denotes | 1H | |
1062 | 762-765 | Chemical | denotes | 13C | MESH:C000615229 |
1063 | 780-788 | Chemical | denotes | DMSO‑d 6 | |
1064 | 951-962 | Chemical | denotes | C20H24N7O8S | |
1065 | 924-928 | Disease | denotes | HRMS |
LitCovid-PD-CLO
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T355 | 171-172 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | A |
T356 | 326-327 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T357 | 964-967 | http://purl.obolibrary.org/obo/CLO_0007706 | denotes | M+H |
LitCovid-PD-CHEBI
Id | Subject | Object | Predicate | Lexical cue | chebi_id |
---|---|---|---|---|---|
T11992 | 23-44 | Chemical | denotes | 6-amino-9H-purin-9-yl | http://purl.obolibrary.org/obo/CHEBI_30756 |
T10378 | 25-30 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T88964 | 50-58 | Chemical | denotes | dimethyl | http://purl.obolibrary.org/obo/CHEBI_33601|http://purl.obolibrary.org/obo/CHEBI_42266 |
T23991 | 102-108 | Chemical | denotes | methyl | http://purl.obolibrary.org/obo/CHEBI_32875|http://purl.obolibrary.org/obo/CHEBI_29309 |
T267 | 112-119 | Chemical | denotes | methoxy | http://purl.obolibrary.org/obo/CHEBI_32772|http://purl.obolibrary.org/obo/CHEBI_44520 |
T269 | 122-134 | Chemical | denotes | nitrobenzene | http://purl.obolibrary.org/obo/CHEBI_27798 |
T79814 | 137-148 | Chemical | denotes | sulfonamide | http://purl.obolibrary.org/obo/CHEBI_35358 |
T91742 | 181-186 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T272 | 193-207 | Chemical | denotes | isopropylidene | http://purl.obolibrary.org/obo/CHEBI_29858 |
T33382 | 208-217 | Chemical | denotes | adenosine | http://purl.obolibrary.org/obo/CHEBI_16335 |
T53867 | 253-260 | Chemical | denotes | methoxy | http://purl.obolibrary.org/obo/CHEBI_32772|http://purl.obolibrary.org/obo/CHEBI_44520 |
T88523 | 283-291 | Chemical | denotes | chloride | http://purl.obolibrary.org/obo/CHEBI_17996 |
T18075 | 341-343 | Chemical | denotes | Rf | http://purl.obolibrary.org/obo/CHEBI_33346 |
T66646 | 355-359 | Chemical | denotes | MeOH | http://purl.obolibrary.org/obo/CHEBI_17790 |
T23370 | 360-363 | Chemical | denotes | DCM | http://purl.obolibrary.org/obo/CHEBI_15767 |
T9964 | 366-368 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T47201 | 383-387 | Chemical | denotes | DMSO | http://purl.obolibrary.org/obo/CHEBI_28262 |
T282 | 416-418 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T13990 | 430-432 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T284 | 444-446 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T49293 | 470-472 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T27316 | 496-498 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T21631 | 553-555 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T66889 | 579-581 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T289 | 618-620 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T45321 | 657-659 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T83599 | 696-698 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T25831 | 780-784 | Chemical | denotes | DMSO | http://purl.obolibrary.org/obo/CHEBI_28262 |
LitCovid-PD-HP
Id | Subject | Object | Predicate | Lexical cue | hp_id |
---|---|---|---|---|---|
T22 | 360-363 | Phenotype | denotes | DCM | http://purl.obolibrary.org/obo/HP_0001644 |
LitCovid-sentences
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T415 | 0-153 | Sentence | denotes | 4.1.22 N-{[(4R,6R)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d] [1,3]dioxol-4-yl]methyl}-4-methoxy-2-nitrobenzene-1-sulfonamide (26) |
T416 | 154-340 | Sentence | denotes | Following method A with 5′-amino-2′,3′-isopropylidene adenosine (280 mg, 0.92 mmol, 1.00 eq) and 4-methoxy-2-nitrobenzenesufonyl chloride, 26 (191 mg, 40%) was obtained as a beige solid. |
T417 | 341-365 | Sentence | denotes | Rf 0.59 (8:92 MeOH/DCM). |
T418 | 366-761 | Sentence | denotes | 1H NMR (600 MHz, DMSO‑d 6) δ 8.43 (t, J = 5.8 Hz, 1H), 8.28 (s, 1H), 8.12 (s, 1H), 7.74 (d, J = 8.9 Hz, 1H), 7.51 (d, J = 2.6 Hz, 1H), 7.40 (br. s, 2H), 7.20 (dd, J = 8.9 Hz, J = 2.6 Hz, 1H), 6.11 (d, J = 3.0 Hz, 1H), 5.36 (dd, J = 6.3 Hz, J = 3.0 Hz, 1H), 4.93 (dd, J = 6.4 Hz, J = 2.9 Hz, 1H), 4.23 (td, J = 5.8 Hz, J = 2.9 Hz, 1H), 3.87 (s, 3H), 3.27–3.14 (m, 2H), 1.52 (s, 3H), 1.28 (s, 3H). |
T419 | 762-923 | Sentence | denotes | 13C NMR (150 MHz, DMSO‑d 6) δ 162.5, 156.2, 153.0, 149.0, 148.3, 140.2, 131.3, 123.8, 119.3, 117.2, 113.5, 109.8, 89.5, 84.1, 82.8, 81.5, 56.6, 44.5, 27.0, 25.1. |
T420 | 924-970 | Sentence | denotes | HRMS (ESI+): m/z calcd for C20H24N7O8S [M+H]+: |
T421 | 971-996 | Sentence | denotes | 522.1407, Found 522.1407. |