PMC:7291971 / 38796-40469
Annnotations
LitCovid-PMC-OGER-BB
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T796 | 45-47 | CHEBI:30756;CHEBI:30756 | denotes | 9H |
T797 | 48-58 | CHEBI:30756;CHEBI:30756 | denotes | purin-9-yl |
T798 | 59-83 | CHEBI:53233;CHEBI:53233 | denotes | -2,2-dimethyl-tetrahydro |
T799 | 84-86 | CHEBI:53233;CHEBI:53233 | denotes | 2H |
T800 | 102-104 | CHEBI:53233;CHEBI:53233 | denotes | 3] |
T801 | 104-110 | CHEBI:82321;CHEBI:82321 | denotes | dioxol |
T802 | 110-116 | CHEBI:53233;CHEBI:53233 | denotes | -4-yl] |
T803 | 116-122 | CHEBI:29309;CHEBI:29309 | denotes | methyl |
T804 | 122-123 | CHEBI:53233;CHEBI:53233 | denotes | } |
T805 | 123-128 | CHEBI:46882;CHEBI:46882 | denotes | amino |
T806 | 129-135 | CHEBI:42241;CHEBI:42241 | denotes | ethoxy |
T807 | 137-165 | CHEBI:53233;CHEBI:53233 | denotes | 4-[(tert-butyldimethylsilyl) |
T808 | 165-168 | CHEBI:29354;CHEBI:29354 | denotes | oxy |
T809 | 170-171 | CHEBI:53233;CHEBI:53233 | denotes | 5 |
T810 | 179-180 | CHEBI:53233;CHEBI:53233 | denotes | - |
T811 | 180-198 | CHEBI:28714;CHEBI:28714 | denotes | butyldimethylsilyl |
T812 | 199-202 | CHEBI:29354;CHEBI:29354 | denotes | oxy |
T813 | 203-209 | CHEBI:29309;CHEBI:29309 | denotes | methyl |
T814 | 210-216 | CHEBI:26911;CHEBI:26911 | denotes | oxolan |
T815 | 216-217 | CHEBI:15533;CHEBI:15533 | denotes | - |
T816 | 217-222 | CHEBI:53233;CHEBI:53233 | denotes | 2-yl] |
T817 | 223-225 | CHEBI:53233;CHEBI:53233 | denotes | 9H |
T818 | 225-231 | CHEBI:35589;CHEBI:35589 | denotes | -purin |
T819 | 232-233 | CHEBI:53233;CHEBI:53233 | denotes | 6 |
T820 | 234-239 | CHEBI:32952;CHEBI:32952 | denotes | amine |
T821 | 250-258 | CHEBI:75958;CHEBI:75958 | denotes | solution |
T822 | 329-334 | CHEBI:32031;CHEBI:32031 | denotes | K2CO3 |
T823 | 367-377 | CHEBI:48498;CHEBI:48498 | denotes | thiophenol |
T824 | 476-483 | CHEBI:60004;CHEBI:60004 | denotes | mixture |
T825 | 533-540 | CHEBI:15377;CHEBI:15377 | denotes | aqueous |
T826 | 541-545 | CHEBI:32145;CHEBI:32145 | denotes | NaOH |
T827 | 546-554 | CHEBI:75958;CHEBI:75958 | denotes | solution |
T828 | 568-575 | CHEBI:15377;CHEBI:15377 | denotes | aqueous |
T829 | 686-692 | CHEBI:34683;CHEBI:34683 | denotes | Na2SO4 |
T830 | 781-787 | CHEBI:30563;CHEBI:30563 | denotes | silica |
T831 | 815-819 | CHEBI:32145;CHEBI:32145 | denotes | MeOH |
T832 | 899-903 | CHEBI:32145;CHEBI:32145 | denotes | MeOH |
T833 | 927-932 | CHEBI:30808;CHEBI:30808 | denotes | CDCl3 |
T834 | 1366-1369 | CHEBI:36927;CHEBI:36927 | denotes | 13C |
T37264 | 45-47 | CHEBI:30756;CHEBI:30756 | denotes | 9H |
T61516 | 48-58 | CHEBI:30756;CHEBI:30756 | denotes | purin-9-yl |
T43297 | 59-83 | CHEBI:53233;CHEBI:53233 | denotes | -2,2-dimethyl-tetrahydro |
T26849 | 84-86 | CHEBI:53233;CHEBI:53233 | denotes | 2H |
T6291 | 102-104 | CHEBI:53233;CHEBI:53233 | denotes | 3] |
T10899 | 104-110 | CHEBI:82321;CHEBI:82321 | denotes | dioxol |
T30917 | 110-116 | CHEBI:53233;CHEBI:53233 | denotes | -4-yl] |
T29054 | 116-122 | CHEBI:29309;CHEBI:29309 | denotes | methyl |
T91631 | 122-123 | CHEBI:53233;CHEBI:53233 | denotes | } |
T71293 | 123-128 | CHEBI:46882;CHEBI:46882 | denotes | amino |
T48278 | 129-135 | CHEBI:42241;CHEBI:42241 | denotes | ethoxy |
T81026 | 137-165 | CHEBI:53233;CHEBI:53233 | denotes | 4-[(tert-butyldimethylsilyl) |
T93948 | 165-168 | CHEBI:29354;CHEBI:29354 | denotes | oxy |
T43751 | 170-171 | CHEBI:53233;CHEBI:53233 | denotes | 5 |
T98761 | 179-180 | CHEBI:53233;CHEBI:53233 | denotes | - |
T36094 | 180-198 | CHEBI:28714;CHEBI:28714 | denotes | butyldimethylsilyl |
T18228 | 199-202 | CHEBI:29354;CHEBI:29354 | denotes | oxy |
T76224 | 203-209 | CHEBI:29309;CHEBI:29309 | denotes | methyl |
T41246 | 210-216 | CHEBI:26911;CHEBI:26911 | denotes | oxolan |
T37085 | 216-217 | CHEBI:15533;CHEBI:15533 | denotes | - |
T61179 | 217-222 | CHEBI:53233;CHEBI:53233 | denotes | 2-yl] |
T12065 | 223-225 | CHEBI:53233;CHEBI:53233 | denotes | 9H |
T53177 | 225-231 | CHEBI:35589;CHEBI:35589 | denotes | -purin |
T82206 | 232-233 | CHEBI:53233;CHEBI:53233 | denotes | 6 |
T57054 | 234-239 | CHEBI:32952;CHEBI:32952 | denotes | amine |
T10400 | 250-258 | CHEBI:75958;CHEBI:75958 | denotes | solution |
T2918 | 329-334 | CHEBI:32031;CHEBI:32031 | denotes | K2CO3 |
T54095 | 367-377 | CHEBI:48498;CHEBI:48498 | denotes | thiophenol |
T6657 | 476-483 | CHEBI:60004;CHEBI:60004 | denotes | mixture |
T33281 | 533-540 | CHEBI:15377;CHEBI:15377 | denotes | aqueous |
T65041 | 541-545 | CHEBI:32145;CHEBI:32145 | denotes | NaOH |
T40366 | 546-554 | CHEBI:75958;CHEBI:75958 | denotes | solution |
T1989 | 568-575 | CHEBI:15377;CHEBI:15377 | denotes | aqueous |
T99804 | 686-692 | CHEBI:34683;CHEBI:34683 | denotes | Na2SO4 |
T52387 | 781-787 | CHEBI:30563;CHEBI:30563 | denotes | silica |
T84377 | 815-819 | CHEBI:32145;CHEBI:32145 | denotes | MeOH |
T32932 | 899-903 | CHEBI:32145;CHEBI:32145 | denotes | MeOH |
T16692 | 927-932 | CHEBI:30808;CHEBI:30808 | denotes | CDCl3 |
T39500 | 1366-1369 | CHEBI:36927;CHEBI:36927 | denotes | 13C |
LitCovid-PubTator
Id | Subject | Object | Predicate | Lexical cue | tao:has_database_id |
---|---|---|---|---|---|
676 | 307-310 | Chemical | denotes | DMF | |
677 | 329-334 | Chemical | denotes | K2CO3 | MESH:C037593 |
678 | 367-377 | Chemical | denotes | thiophenol | MESH:C042983 |
679 | 456-461 | Chemical | denotes | argon | MESH:D001128 |
680 | 501-504 | Chemical | denotes | DCM | |
681 | 541-545 | Chemical | denotes | NaOH | |
682 | 601-604 | Chemical | denotes | DCM | |
683 | 668-673 | Chemical | denotes | brine | MESH:C017082 |
684 | 686-692 | Chemical | denotes | Na2SO4 | |
685 | 781-791 | Chemical | denotes | silica gel | MESH:D058428 |
686 | 815-819 | Chemical | denotes | MeOH | |
687 | 823-826 | Chemical | denotes | DCM | |
688 | 899-903 | Chemical | denotes | MeOH | |
689 | 904-907 | Chemical | denotes | DCM | |
690 | 1624-1638 | Chemical | denotes | C37H62N11O7Si2 | |
691 | 1597-1601 | Disease | denotes | HRMS |
LitCovid-PD-CLO
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T286 | 248-249 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T287 | 379-381 | http://purl.obolibrary.org/obo/CLO_0053733 | denotes | 11 |
T288 | 634-641 | http://purl.obolibrary.org/obo/OBI_0100026 | denotes | organic |
T289 | 634-641 | http://purl.obolibrary.org/obo/UBERON_0000468 | denotes | organic |
T290 | 870-871 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T291 | 1640-1643 | http://purl.obolibrary.org/obo/CLO_0007706 | denotes | M+H |
LitCovid-PD-CHEBI
Id | Subject | Object | Predicate | Lexical cue | chebi_id |
---|---|---|---|---|---|
T659 | 37-58 | Chemical | denotes | 6-amino-9H-purin-9-yl | http://purl.obolibrary.org/obo/CHEBI_30756 |
T660 | 39-44 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T661 | 64-72 | Chemical | denotes | dimethyl | http://purl.obolibrary.org/obo/CHEBI_33601|http://purl.obolibrary.org/obo/CHEBI_42266 |
T663 | 116-122 | Chemical | denotes | methyl | http://purl.obolibrary.org/obo/CHEBI_32875|http://purl.obolibrary.org/obo/CHEBI_29309 |
T665 | 123-128 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T666 | 129-135 | Chemical | denotes | ethoxy | http://purl.obolibrary.org/obo/CHEBI_42241 |
T667 | 165-168 | Chemical | denotes | oxy | http://purl.obolibrary.org/obo/CHEBI_29354 |
T668 | 199-202 | Chemical | denotes | oxy | http://purl.obolibrary.org/obo/CHEBI_29354 |
T669 | 203-209 | Chemical | denotes | methyl | http://purl.obolibrary.org/obo/CHEBI_32875|http://purl.obolibrary.org/obo/CHEBI_29309 |
T671 | 223-239 | Chemical | denotes | 9H-purin-6-amine | http://purl.obolibrary.org/obo/CHEBI_16708 |
T672 | 234-239 | Chemical | denotes | amine | http://purl.obolibrary.org/obo/CHEBI_32952 |
T673 | 250-258 | Chemical | denotes | solution | http://purl.obolibrary.org/obo/CHEBI_75958 |
T674 | 307-310 | Chemical | denotes | DMF | http://purl.obolibrary.org/obo/CHEBI_17741 |
T675 | 329-334 | Chemical | denotes | K2CO3 | http://purl.obolibrary.org/obo/CHEBI_131526 |
T676 | 367-377 | Chemical | denotes | thiophenol | http://purl.obolibrary.org/obo/CHEBI_48498 |
T677 | 456-461 | Chemical | denotes | argon | http://purl.obolibrary.org/obo/CHEBI_49475 |
T678 | 476-483 | Chemical | denotes | mixture | http://purl.obolibrary.org/obo/CHEBI_60004 |
T679 | 501-504 | Chemical | denotes | DCM | http://purl.obolibrary.org/obo/CHEBI_15767 |
T680 | 541-545 | Chemical | denotes | NaOH | http://purl.obolibrary.org/obo/CHEBI_32145 |
T681 | 546-554 | Chemical | denotes | solution | http://purl.obolibrary.org/obo/CHEBI_75958 |
T682 | 601-604 | Chemical | denotes | DCM | http://purl.obolibrary.org/obo/CHEBI_15767 |
T683 | 686-692 | Chemical | denotes | Na2SO4 | http://purl.obolibrary.org/obo/CHEBI_32149 |
T684 | 781-787 | Chemical | denotes | silica | http://purl.obolibrary.org/obo/CHEBI_30563 |
T685 | 815-819 | Chemical | denotes | MeOH | http://purl.obolibrary.org/obo/CHEBI_17790 |
T686 | 823-826 | Chemical | denotes | DCM | http://purl.obolibrary.org/obo/CHEBI_15767 |
T687 | 885-887 | Chemical | denotes | Rf | http://purl.obolibrary.org/obo/CHEBI_33346 |
T688 | 899-903 | Chemical | denotes | MeOH | http://purl.obolibrary.org/obo/CHEBI_17790 |
T689 | 904-907 | Chemical | denotes | DCM | http://purl.obolibrary.org/obo/CHEBI_15767 |
T690 | 910-912 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T691 | 927-932 | Chemical | denotes | CDCl3 | http://purl.obolibrary.org/obo/CHEBI_85365 |
T692 | 945-947 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T693 | 959-961 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T694 | 973-975 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T695 | 987-989 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T696 | 1032-1034 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T697 | 1071-1073 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T698 | 1090-1092 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T699 | 1109-1111 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T700 | 1167-1169 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T701 | 1207-1209 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T702 | 1247-1249 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T703 | 1384-1389 | Chemical | denotes | CDCl3 | http://purl.obolibrary.org/obo/CHEBI_85365 |
LitCovid-PD-HP
Id | Subject | Object | Predicate | Lexical cue | hp_id |
---|---|---|---|---|---|
T7 | 501-504 | Phenotype | denotes | DCM | http://purl.obolibrary.org/obo/HP_0001644 |
T8 | 601-604 | Phenotype | denotes | DCM | http://purl.obolibrary.org/obo/HP_0001644 |
T9 | 823-826 | Phenotype | denotes | DCM | http://purl.obolibrary.org/obo/HP_0001644 |
T10 | 904-907 | Phenotype | denotes | DCM | http://purl.obolibrary.org/obo/HP_0001644 |
LitCovid-sentences
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T287 | 0-244 | Sentence | denotes | 4.1.6 9-[(2R,5R)-3-[2-({[(4R,6R)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d] [1,3]dioxol-4-yl]methyl}amino)ethoxy]-4-[(tert-butyldimethylsilyl)oxy]-5-{[(tert-butyldimethylsilyl)oxy]methyl}oxolan-2-yl]-9H-purin-6-amine (20) |
T288 | 245-406 | Sentence | denotes | To a solution of 19 (210 mg, 0.20 mmol, 1.00 eq) in anhydrous DMF (10 mL) was added K2CO3 (85 mg, 0.61 mmol, 3.00 eq) and thiophenol (11 μL, 1.14 mmol, 5.70 eq). |
T289 | 407-563 | Sentence | denotes | After stirring for 2 h at room temperature under argon, the reaction mixture was diluted with DCM (20 mL) and washed with 1 M aqueous NaOH solution (10 mL). |
T290 | 564-723 | Sentence | denotes | The aqueous layer was extracted with DCM (3 × 20 mL) and the combined organic extracts were washed with brine, dried over Na2SO4 and concentrated under vacuum. |
T291 | 724-884 | Sentence | denotes | The residue was purified by flash column chromatography (silica gel, linear gradient 0–15% MeOH in DCM) as the eluent to give 20 (129 mg, 76%) as a white solid. |
T292 | 885-909 | Sentence | denotes | Rf 0.31 (8:92 MeOH/DCM). |
T293 | 910-1365 | Sentence | denotes | 1H NMR (500 MHz, CDCl3) δ 8.32 (s, 1H), 8.31 (s, 1H), 8.17 (s, 1H), 7.93 (s, 1H), 6.17–6.06 (m, 5H), 6.03 (d, J = 2.9 Hz, 1H), 5.39 (dd, J = 6.5 Hz, J = 3.0 Hz, 1H), 4.99–4.92 (m, 1H), 4.51–4.45 (m, 1H), 4.33–4.25 (m, 2H), 4.08 (dt, J = 5.6 Hz, J = 3.2 Hz, 1H), 3.98 (dd, J = 11.5 Hz, J = 3.6 Hz, 1H), 3.75 (dd, J = 11.6 Hz, J = 2.8 Hz, 1H), 3.71–3.63 (m, 2H), 2.95–2.69 (m, 4H), 1.61 (s, 3H), 1.37 (s, 3H), 0.92 (s, 9H), 0.88 (s, 9H), 0.13–0.04 (m, 12H). |
T294 | 1366-1596 | Sentence | denotes | 13C NMR (125 MHz, CDCl3) δ 155.8, 155.7, 153.3, 153.1, 149.7, 149.6, 139.8, 139.4, 120.5, 120.3, 114.8, 90.7, 87.2, 85.8, 85.1, 83.9, 82.6, 82.4, 70.3, 70.13, 62.0, 51.5, 49.5, 27.4, 26.2, 25.8, 18.6, 18.2, −4.5, −4.8, −5.2, −5.3. |
T295 | 1597-1646 | Sentence | denotes | HRMS (ESI+): m/z calcd for C37H62N11O7Si2 [M+H]+: |
T296 | 1647-1663 | Sentence | denotes | 828.4372, found: |
T297 | 1664-1673 | Sentence | denotes | 828.4371. |