PMC:7291971 / 72766-73938
Annnotations
LitCovid-PMC-OGER-BB
{"project":"LitCovid-PMC-OGER-BB","denotations":[{"id":"T1469","span":{"begin":80,"end":92},"obj":"CHEBI:38472;CHEBI:38472"},{"id":"T1470","span":{"begin":783,"end":786},"obj":"CHEBI:36927;CHEBI:36927"},{"id":"T96175","span":{"begin":80,"end":92},"obj":"CHEBI:38472;CHEBI:38472"},{"id":"T8921","span":{"begin":783,"end":786},"obj":"CHEBI:36927;CHEBI:36927"}],"text":"Using method C with (120 mg, 0.11 mmol, 1.00 eq) and a 0–40% linear gradient of acetonitrile in TEAAc buffer 50 mM, pH 7 for purification, 12 (18 mg, 20%) was obtained as a white powder with 99% purity determined by HPLC analysis at 260 nm. 1H NMR (500 MHz, DMSO‑d 6) δ 8.47 (d, J = 1.7 Hz, 1H), 8.32 (s, 1H), 8.28 (s, 1H), 8.15 (d, J = 8.3 Hz, 1H), 8.12 (s, 1H), 8.11 (s, 1H), 7.88 (dd, J = 8.6 Hz, J = 1.8 Hz, 1H), 7.36 (br. s, 2H), 7.31 (br. s, 2H), 5.90 (d, J = 5.2 Hz, 1H), 5.82 (d, J = 5.4 Hz, 1H), 5.61 (d, J = 6.0 Hz, 1H), 5.43 (d, J = 5.1 Hz, 1H), 5.38 (dd, J = 6.6 Hz, J = 4.8 Hz, 1H), 5.30 (d, J = 5.3 Hz, 1H), 4.65 (q, J = 5.4 Hz, 1H), 4.37 (t, J = 5.1 Hz, 1H), 4.31 (q, J = 4.7 Hz, 1H), 4.19–4.10 (m, 2H), 3.91 (q, J = 3.6 Hz, 1H), 3.87–3.63 (m, 4H), 3.61–3.45 (m, 4H). 13C NMR (125 MHz, DMSO‑d 6) δ 156.2, 156.1, 152.7, 152.6, 149.2, 148.9, 147.7, 139.9, 139.4, 135.9, 133.9, 133.6, 133.3, 133.1, 131.1, 128.9, 128.9, 152.5, 123.3, 121.1, 119.0, 122.0, 121.9, 119.2 (2C), 87.8, 86.3, 85.9, 81.6, 81.5, 72.5, 71.4, 68.8, 67.7, 61.0, 50.0, 47.3. 19F NMR (378 MHz, DMSO‑d 6): δ −62.8. HRMS (ESI+): m/z calcd for C29H32N12O11SF3 [M+H]+: 813.1986, Found 813.1988."}
LitCovid-PubTator
{"project":"LitCovid-PubTator","denotations":[{"id":"1345","span":{"begin":80,"end":92},"obj":"Chemical"},{"id":"1346","span":{"begin":96,"end":101},"obj":"Chemical"},{"id":"1347","span":{"begin":241,"end":243},"obj":"Chemical"},{"id":"1348","span":{"begin":258,"end":264},"obj":"Chemical"},{"id":"1349","span":{"begin":291,"end":293},"obj":"Chemical"},{"id":"1350","span":{"begin":305,"end":307},"obj":"Chemical"},{"id":"1351","span":{"begin":319,"end":321},"obj":"Chemical"},{"id":"1352","span":{"begin":345,"end":347},"obj":"Chemical"},{"id":"1353","span":{"begin":359,"end":361},"obj":"Chemical"},{"id":"1354","span":{"begin":373,"end":375},"obj":"Chemical"},{"id":"1355","span":{"begin":412,"end":414},"obj":"Chemical"},{"id":"1356","span":{"begin":430,"end":432},"obj":"Chemical"},{"id":"1357","span":{"begin":1076,"end":1084},"obj":"Chemical"},{"id":"1358","span":{"begin":1096,"end":1100},"obj":"Disease"},{"id":"1359","span":{"begin":1123,"end":1132},"obj":"CellLine"}],"attributes":[{"id":"A1345","pred":"tao:has_database_id","subj":"1345","obj":"MESH:C032159"},{"id":"A1356","pred":"tao:has_database_id","subj":"1356","obj":"MESH:D003903"},{"id":"A1359","pred":"tao:has_database_id","subj":"1359","obj":"CVCL:0189"}],"namespaces":[{"prefix":"Tax","uri":"https://www.ncbi.nlm.nih.gov/taxonomy/"},{"prefix":"MESH","uri":"https://id.nlm.nih.gov/mesh/"},{"prefix":"Gene","uri":"https://www.ncbi.nlm.nih.gov/gene/"},{"prefix":"CVCL","uri":"https://web.expasy.org/cellosaurus/CVCL_"}],"text":"Using method C with (120 mg, 0.11 mmol, 1.00 eq) and a 0–40% linear gradient of acetonitrile in TEAAc buffer 50 mM, pH 7 for purification, 12 (18 mg, 20%) was obtained as a white powder with 99% purity determined by HPLC analysis at 260 nm. 1H NMR (500 MHz, DMSO‑d 6) δ 8.47 (d, J = 1.7 Hz, 1H), 8.32 (s, 1H), 8.28 (s, 1H), 8.15 (d, J = 8.3 Hz, 1H), 8.12 (s, 1H), 8.11 (s, 1H), 7.88 (dd, J = 8.6 Hz, J = 1.8 Hz, 1H), 7.36 (br. s, 2H), 7.31 (br. s, 2H), 5.90 (d, J = 5.2 Hz, 1H), 5.82 (d, J = 5.4 Hz, 1H), 5.61 (d, J = 6.0 Hz, 1H), 5.43 (d, J = 5.1 Hz, 1H), 5.38 (dd, J = 6.6 Hz, J = 4.8 Hz, 1H), 5.30 (d, J = 5.3 Hz, 1H), 4.65 (q, J = 5.4 Hz, 1H), 4.37 (t, J = 5.1 Hz, 1H), 4.31 (q, J = 4.7 Hz, 1H), 4.19–4.10 (m, 2H), 3.91 (q, J = 3.6 Hz, 1H), 3.87–3.63 (m, 4H), 3.61–3.45 (m, 4H). 13C NMR (125 MHz, DMSO‑d 6) δ 156.2, 156.1, 152.7, 152.6, 149.2, 148.9, 147.7, 139.9, 139.4, 135.9, 133.9, 133.6, 133.3, 133.1, 131.1, 128.9, 128.9, 152.5, 123.3, 121.1, 119.0, 122.0, 121.9, 119.2 (2C), 87.8, 86.3, 85.9, 81.6, 81.5, 72.5, 71.4, 68.8, 67.7, 61.0, 50.0, 47.3. 19F NMR (378 MHz, DMSO‑d 6): δ −62.8. HRMS (ESI+): m/z calcd for C29H32N12O11SF3 [M+H]+: 813.1986, Found 813.1988."}
LitCovid-PD-CLO
{"project":"LitCovid-PD-CLO","denotations":[{"id":"T396","span":{"begin":53,"end":54},"obj":"http://purl.obolibrary.org/obo/CLO_0001020"},{"id":"T397","span":{"begin":143,"end":145},"obj":"http://purl.obolibrary.org/obo/CLO_0050510"},{"id":"T398","span":{"begin":171,"end":172},"obj":"http://purl.obolibrary.org/obo/CLO_0001020"},{"id":"T399","span":{"begin":1140,"end":1143},"obj":"http://purl.obolibrary.org/obo/CLO_0007706"}],"text":"Using method C with (120 mg, 0.11 mmol, 1.00 eq) and a 0–40% linear gradient of acetonitrile in TEAAc buffer 50 mM, pH 7 for purification, 12 (18 mg, 20%) was obtained as a white powder with 99% purity determined by HPLC analysis at 260 nm. 1H NMR (500 MHz, DMSO‑d 6) δ 8.47 (d, J = 1.7 Hz, 1H), 8.32 (s, 1H), 8.28 (s, 1H), 8.15 (d, J = 8.3 Hz, 1H), 8.12 (s, 1H), 8.11 (s, 1H), 7.88 (dd, J = 8.6 Hz, J = 1.8 Hz, 1H), 7.36 (br. s, 2H), 7.31 (br. s, 2H), 5.90 (d, J = 5.2 Hz, 1H), 5.82 (d, J = 5.4 Hz, 1H), 5.61 (d, J = 6.0 Hz, 1H), 5.43 (d, J = 5.1 Hz, 1H), 5.38 (dd, J = 6.6 Hz, J = 4.8 Hz, 1H), 5.30 (d, J = 5.3 Hz, 1H), 4.65 (q, J = 5.4 Hz, 1H), 4.37 (t, J = 5.1 Hz, 1H), 4.31 (q, J = 4.7 Hz, 1H), 4.19–4.10 (m, 2H), 3.91 (q, J = 3.6 Hz, 1H), 3.87–3.63 (m, 4H), 3.61–3.45 (m, 4H). 13C NMR (125 MHz, DMSO‑d 6) δ 156.2, 156.1, 152.7, 152.6, 149.2, 148.9, 147.7, 139.9, 139.4, 135.9, 133.9, 133.6, 133.3, 133.1, 131.1, 128.9, 128.9, 152.5, 123.3, 121.1, 119.0, 122.0, 121.9, 119.2 (2C), 87.8, 86.3, 85.9, 81.6, 81.5, 72.5, 71.4, 68.8, 67.7, 61.0, 50.0, 47.3. 19F NMR (378 MHz, DMSO‑d 6): δ −62.8. HRMS (ESI+): m/z calcd for C29H32N12O11SF3 [M+H]+: 813.1986, Found 813.1988."}
LitCovid-PD-CHEBI
{"project":"LitCovid-PD-CHEBI","denotations":[{"id":"T47431","span":{"begin":80,"end":92},"obj":"Chemical"},{"id":"T35557","span":{"begin":102,"end":108},"obj":"Chemical"},{"id":"T37877","span":{"begin":241,"end":243},"obj":"Chemical"},{"id":"T52101","span":{"begin":258,"end":262},"obj":"Chemical"},{"id":"T48273","span":{"begin":291,"end":293},"obj":"Chemical"},{"id":"T637","span":{"begin":305,"end":307},"obj":"Chemical"},{"id":"T22825","span":{"begin":319,"end":321},"obj":"Chemical"},{"id":"T23474","span":{"begin":345,"end":347},"obj":"Chemical"},{"id":"T640","span":{"begin":359,"end":361},"obj":"Chemical"},{"id":"T94081","span":{"begin":373,"end":375},"obj":"Chemical"},{"id":"T8168","span":{"begin":412,"end":414},"obj":"Chemical"},{"id":"T68874","span":{"begin":474,"end":476},"obj":"Chemical"},{"id":"T63267","span":{"begin":500,"end":502},"obj":"Chemical"},{"id":"T93792","span":{"begin":526,"end":528},"obj":"Chemical"},{"id":"T58208","span":{"begin":552,"end":554},"obj":"Chemical"},{"id":"T12607","span":{"begin":591,"end":593},"obj":"Chemical"},{"id":"T94498","span":{"begin":617,"end":619},"obj":"Chemical"},{"id":"T44455","span":{"begin":643,"end":645},"obj":"Chemical"},{"id":"T97308","span":{"begin":669,"end":671},"obj":"Chemical"},{"id":"T97343","span":{"begin":695,"end":697},"obj":"Chemical"},{"id":"T78806","span":{"begin":740,"end":742},"obj":"Chemical"},{"id":"T25804","span":{"begin":801,"end":805},"obj":"Chemical"},{"id":"T68486","span":{"begin":1076,"end":1080},"obj":"Chemical"}],"attributes":[{"id":"A94062","pred":"chebi_id","subj":"T47431","obj":"http://purl.obolibrary.org/obo/CHEBI_38472"},{"id":"A74902","pred":"chebi_id","subj":"T35557","obj":"http://purl.obolibrary.org/obo/CHEBI_35225"},{"id":"A14412","pred":"chebi_id","subj":"T37877","obj":"http://purl.obolibrary.org/obo/CHEBI_49637"},{"id":"A1309","pred":"chebi_id","subj":"T52101","obj":"http://purl.obolibrary.org/obo/CHEBI_28262"},{"id":"A1327","pred":"chebi_id","subj":"T48273","obj":"http://purl.obolibrary.org/obo/CHEBI_49637"},{"id":"A72079","pred":"chebi_id","subj":"T637","obj":"http://purl.obolibrary.org/obo/CHEBI_49637"},{"id":"A82268","pred":"chebi_id","subj":"T22825","obj":"http://purl.obolibrary.org/obo/CHEBI_49637"},{"id":"A76206","pred":"chebi_id","subj":"T23474","obj":"http://purl.obolibrary.org/obo/CHEBI_49637"},{"id":"A93141","pred":"chebi_id","subj":"T640","obj":"http://purl.obolibrary.org/obo/CHEBI_49637"},{"id":"A19937","pred":"chebi_id","subj":"T94081","obj":"http://purl.obolibrary.org/obo/CHEBI_49637"},{"id":"A22418","pred":"chebi_id","subj":"T8168","obj":"http://purl.obolibrary.org/obo/CHEBI_49637"},{"id":"A72082","pred":"chebi_id","subj":"T68874","obj":"http://purl.obolibrary.org/obo/CHEBI_49637"},{"id":"A83566","pred":"chebi_id","subj":"T63267","obj":"http://purl.obolibrary.org/obo/CHEBI_49637"},{"id":"A74710","pred":"chebi_id","subj":"T93792","obj":"http://purl.obolibrary.org/obo/CHEBI_49637"},{"id":"A18036","pred":"chebi_id","subj":"T58208","obj":"http://purl.obolibrary.org/obo/CHEBI_49637"},{"id":"A53936","pred":"chebi_id","subj":"T12607","obj":"http://purl.obolibrary.org/obo/CHEBI_49637"},{"id":"A17663","pred":"chebi_id","subj":"T94498","obj":"http://purl.obolibrary.org/obo/CHEBI_49637"},{"id":"A30626","pred":"chebi_id","subj":"T44455","obj":"http://purl.obolibrary.org/obo/CHEBI_49637"},{"id":"A62487","pred":"chebi_id","subj":"T97308","obj":"http://purl.obolibrary.org/obo/CHEBI_49637"},{"id":"A83250","pred":"chebi_id","subj":"T97343","obj":"http://purl.obolibrary.org/obo/CHEBI_49637"},{"id":"A86175","pred":"chebi_id","subj":"T78806","obj":"http://purl.obolibrary.org/obo/CHEBI_49637"},{"id":"A58101","pred":"chebi_id","subj":"T25804","obj":"http://purl.obolibrary.org/obo/CHEBI_28262"},{"id":"A27442","pred":"chebi_id","subj":"T68486","obj":"http://purl.obolibrary.org/obo/CHEBI_28262"}],"text":"Using method C with (120 mg, 0.11 mmol, 1.00 eq) and a 0–40% linear gradient of acetonitrile in TEAAc buffer 50 mM, pH 7 for purification, 12 (18 mg, 20%) was obtained as a white powder with 99% purity determined by HPLC analysis at 260 nm. 1H NMR (500 MHz, DMSO‑d 6) δ 8.47 (d, J = 1.7 Hz, 1H), 8.32 (s, 1H), 8.28 (s, 1H), 8.15 (d, J = 8.3 Hz, 1H), 8.12 (s, 1H), 8.11 (s, 1H), 7.88 (dd, J = 8.6 Hz, J = 1.8 Hz, 1H), 7.36 (br. s, 2H), 7.31 (br. s, 2H), 5.90 (d, J = 5.2 Hz, 1H), 5.82 (d, J = 5.4 Hz, 1H), 5.61 (d, J = 6.0 Hz, 1H), 5.43 (d, J = 5.1 Hz, 1H), 5.38 (dd, J = 6.6 Hz, J = 4.8 Hz, 1H), 5.30 (d, J = 5.3 Hz, 1H), 4.65 (q, J = 5.4 Hz, 1H), 4.37 (t, J = 5.1 Hz, 1H), 4.31 (q, J = 4.7 Hz, 1H), 4.19–4.10 (m, 2H), 3.91 (q, J = 3.6 Hz, 1H), 3.87–3.63 (m, 4H), 3.61–3.45 (m, 4H). 13C NMR (125 MHz, DMSO‑d 6) δ 156.2, 156.1, 152.7, 152.6, 149.2, 148.9, 147.7, 139.9, 139.4, 135.9, 133.9, 133.6, 133.3, 133.1, 131.1, 128.9, 128.9, 152.5, 123.3, 121.1, 119.0, 122.0, 121.9, 119.2 (2C), 87.8, 86.3, 85.9, 81.6, 81.5, 72.5, 71.4, 68.8, 67.7, 61.0, 50.0, 47.3. 19F NMR (378 MHz, DMSO‑d 6): δ −62.8. HRMS (ESI+): m/z calcd for C29H32N12O11SF3 [M+H]+: 813.1986, Found 813.1988."}
LitCovid-sentences
{"project":"LitCovid-sentences","denotations":[{"id":"T492","span":{"begin":0,"end":240},"obj":"Sentence"},{"id":"T493","span":{"begin":241,"end":782},"obj":"Sentence"},{"id":"T494","span":{"begin":783,"end":1057},"obj":"Sentence"},{"id":"T495","span":{"begin":1058,"end":1095},"obj":"Sentence"},{"id":"T496","span":{"begin":1096,"end":1146},"obj":"Sentence"},{"id":"T497","span":{"begin":1147,"end":1172},"obj":"Sentence"}],"namespaces":[{"prefix":"_base","uri":"http://pubannotation.org/ontology/tao.owl#"}],"text":"Using method C with (120 mg, 0.11 mmol, 1.00 eq) and a 0–40% linear gradient of acetonitrile in TEAAc buffer 50 mM, pH 7 for purification, 12 (18 mg, 20%) was obtained as a white powder with 99% purity determined by HPLC analysis at 260 nm. 1H NMR (500 MHz, DMSO‑d 6) δ 8.47 (d, J = 1.7 Hz, 1H), 8.32 (s, 1H), 8.28 (s, 1H), 8.15 (d, J = 8.3 Hz, 1H), 8.12 (s, 1H), 8.11 (s, 1H), 7.88 (dd, J = 8.6 Hz, J = 1.8 Hz, 1H), 7.36 (br. s, 2H), 7.31 (br. s, 2H), 5.90 (d, J = 5.2 Hz, 1H), 5.82 (d, J = 5.4 Hz, 1H), 5.61 (d, J = 6.0 Hz, 1H), 5.43 (d, J = 5.1 Hz, 1H), 5.38 (dd, J = 6.6 Hz, J = 4.8 Hz, 1H), 5.30 (d, J = 5.3 Hz, 1H), 4.65 (q, J = 5.4 Hz, 1H), 4.37 (t, J = 5.1 Hz, 1H), 4.31 (q, J = 4.7 Hz, 1H), 4.19–4.10 (m, 2H), 3.91 (q, J = 3.6 Hz, 1H), 3.87–3.63 (m, 4H), 3.61–3.45 (m, 4H). 13C NMR (125 MHz, DMSO‑d 6) δ 156.2, 156.1, 152.7, 152.6, 149.2, 148.9, 147.7, 139.9, 139.4, 135.9, 133.9, 133.6, 133.3, 133.1, 131.1, 128.9, 128.9, 152.5, 123.3, 121.1, 119.0, 122.0, 121.9, 119.2 (2C), 87.8, 86.3, 85.9, 81.6, 81.5, 72.5, 71.4, 68.8, 67.7, 61.0, 50.0, 47.3. 19F NMR (378 MHz, DMSO‑d 6): δ −62.8. HRMS (ESI+): m/z calcd for C29H32N12O11SF3 [M+H]+: 813.1986, Found 813.1988."}