Top1 inhibitor 1 - CAS 2302772-05-8

Top1 inhibitor 1 - CAS 2302772-05-8 Catalog number: BADC-00674

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Top1 inhibitor 1 is a potent inhibitor of human topoisomerase I (Top1) with an IC50 of 29 nM.

ADCs Cytotoxin
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Top1 inhibitor 1
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Top1 inhibitor 1

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BADC-00674 -- $--
Top1 inhibitor 1 is a potent inhibitor of human topoisomerase I (Top1) with an IC50 of 29 nM.
4-Quinolinamine, N-[3-(1H-imidazol-1-yl)propyl]-6-(4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)-; N-[3-(1H-Imidazol-1-yl)propyl]-6-(4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)-4-quinolinamine
Canonical SMILES
1.3±0.1 g/cm3
In Vitro
A positive relationship between topoisomerase-1 (TOP1) protein and sensitivity toward the TOP1 inhibitor irinotecan has been reported in patients with metastatic colorectal cancer (mCRC). TOP1 gene copy number variation in tumor tissue from CRC patients and CRC cell lines with different sensitivities to the TOP1 inhibitor SN-38 and oxaliplatin was analyzed. In the malignant epithelium, 84% of the samples demonstrated an increased TOP1 gene copy number and 64% had an increased TOP1/CEN-20 ratio compared with the non-affected mucosa. Sixteen (32%) of the tumors had a ratio of ≥ 1.5 and 9 (18%) of these had a ratio of ≥ 2.0. A positive association was observed between the TOP1 gene copy number and the TOP1/CEN-20 ratio and in vitro sensitivity toward SN-38, but not toward oxaliplatin. A large fraction of the clinical samples demonstrated increased TOP1 gene copy number and increased TOP1/CEN-20 ratio. The cell line study suggested an association between TOP1 gene copy number or TOP1/CEN-20 ratio and sensitivity to irinotecan but not oxaliplatin.
Clinical Trial Information
NCT NumberCondition Or DiseasePhaseStart DateSponsorStatus
NCT04514497Metastatic Lung Small Cell CarcinomaPhase 12021-11-17National Cancer Institute (NCI)Recruiting
NCT00420485Solid TumorsPhase 12013-04-19Novartis PharmaceuticalsCompleted
NCT04104776Advanced Solid TumorPhase 1, Phase 22021-11-19Constellation PharmaceuticalsRecruiting
NCT02769962Urothelial CarcinomaPhase 1, Phase 22021-11-17National Cancer Institute (NCI)Recruiting
Room temperature, or blue ice upon request.
Boiling Point
714.9±70.0°C at 760 mmHg
1.Discovery and Mechanistic Study of Tailor-Made Quinoline Derivatives as Topoisomerase 1 Poison with Potent Anticancer Activity
Kundu B, Das SK, Paul Chowdhuri S, Pal S, Sarkar D, Ghosh A, Mukherjee A, Bhattacharya D, Das BB, Talukdar A
To overcome chemical limitations of camptothecin (CPT), we report design, synthesis, and validation of a quinoline-based novel class of topoisomerase 1 (Top1) inhibitors and establish that compound 28 ( N-(3-(1 H-imidazol-1-yl)propyl)-6-(4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine) exhibits the highest potency in inhibiting human Top1 activity with an IC50 value of 29 ± 0.04 nM. Compound 28 traps Top1-DNA cleavage complexes (Top1ccs) both in the in vitro cleavage assays and in live cells. Point mutation of Top1-N722S fails to trap compound 28-induced Top1cc because of its inability to form a hydrogen bond with compound 28. Unlike CPT, compound 28 shows excellent plasma serum stability and is not a substrate of P-glycoprotein 1 (permeability glycoprotein) advancing its potential anticancer activity. Finally, we provide evidence that compound 28 overcomes the chemical instability of CPT in human breast adenocarcinoma cells through generation of persistent and less reversible Top1cc-induced DNA double-strand breaks as detected by γH2AX foci immunostaining after 5 h of drug removal.

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