{"doi":"10.17615/qstx-dr22","title":"Antitumor Agents. 272. Structure−Activity Relationships and In Vivo Selective Anti-Breast Cancer Activity of Novel Neo-tanshinlactone Analogues","abstract":"Neo-tanshinlactone (1) and its previously reported analogs, such as 2, are potent and selective in vitro anti-breast cancer agents. The synthetic pathway to 2 was optimized from seven to five steps, with a better overall yield. Structure–activity relationships studies on these compounds revealed some key molecular determinants for this family of anti-breast agents. Several derivatives (19-21 and 24) exerted potent and selective anti-breast cancer activity with IC50 values of 0.3, 0.2, 0.1 and 0.1 μg/mL, respectively, against the ZR-75-1 cell lines. Compound 24 was two- to three-fold more potent than 1 against SK-BR-3 and ZR-75-1. Importantly, 21 exhibited high selectivity; it was 23 times more active against ZR-75-1 than MCF-7. Compound 20 had an approximately 12-fold ratio of SK-BR-3/MCF-7 selectivity. In addition, analog 2 showed potent activity against a ZR-75-1 xenograft model, but not PC-3 and MDA-MB-231 xenografts, as well as high selectivity against breast cancer cell line compared with normal breast tissue-derived cell lines. Further development of lead compounds 19-21 and 24 as clinical trial candidates is warranted.","journal":"INDIGO (University of Illinois at Chicago)","year":2020,"id":115273,"datarank":0.0,"base_score":0.0,"endowment":0.0,"self_citation_contribution":0.0,"citation_network_contribution":0.0,"self_endowment_contribution":0.0,"citer_contribution":0.0,"corpus_percentile":null,"corpus_rank":null,"citation_count":3,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":0.9433,"is_data_producer":false,"deposit_databanks":null,"is_oa":true,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":"2020-01-01","fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":107263,"name":"Mien‐Chie Hung","orcid":"0000-0003-4317-4740","position":1,"is_corresponding":false},{"id":541604,"name":"Chieh-Yu Peng","orcid":null,"position":2,"is_corresponding":false},{"id":255309,"name":"Yizhou Dong","orcid":"0000-0001-5786-0659","position":3,"is_corresponding":false},{"id":540867,"name":"Che‐Ming Teng","orcid":"0000-0002-9719-7334","position":4,"is_corresponding":false},{"id":535383,"name":"Donglei Yu","orcid":"0009-0003-0746-4465","position":5,"is_corresponding":false},{"id":540868,"name":"Qian Shi","orcid":"0000-0002-2535-8119","position":6,"is_corresponding":false},{"id":352153,"name":"Pei‐Chi Wu","orcid":null,"position":7,"is_corresponding":false},{"id":540869,"name":"Shiow‐Lin Pan","orcid":"0000-0001-7449-3539","position":8,"is_corresponding":false},{"id":541605,"name":"Eva Y.-H. P. Lee","orcid":null,"position":9,"is_corresponding":false},{"id":540870,"name":"Yinan Liu","orcid":"0000-0002-0459-1106","position":10,"is_corresponding":false},{"id":535372,"name":"Kyoko Nakagawa‐Goto","orcid":"0000-0002-1642-6538","position":11,"is_corresponding":false},{"id":188904,"name":"Arnold Brossi","orcid":null,"position":12,"is_corresponding":false},{"id":107254,"name":"Jennifer L. Hsu","orcid":"0000-0001-9920-0720","position":13,"is_corresponding":false},{"id":541606,"name":"Huei-Chen Pai","orcid":null,"position":14,"is_corresponding":false},{"id":244470,"name":"Susan L. Morris‐Natschke","orcid":"0000-0003-3772-0063","position":15,"is_corresponding":false},{"id":541607,"name":"Jing‐Yu Lang","orcid":null,"position":16,"is_corresponding":false},{"id":244476,"name":"Kuo‐Hsiung Lee","orcid":"0000-0002-6562-0070","position":17,"is_corresponding":false},{"id":533904,"name":"Kenneth F. Bastow","orcid":null,"position":0,"is_corresponding":true}],"reference_count":0,"raw_metadata":null,"created_at":"2026-07-18T23:13:36.820928Z","pmid":null,"pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"fair_f":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}