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Record W4318754183 · doi:10.1002/ardp.202200610

Development of a multigram synthesis of the bradykinin receptor 2 agonist FR‐190997 and analogs thereof

2023· article· en· W4318754183 on OpenAlex
Eleanna Vachlioti, Spyridon Ferikoglou, Xenios Georgiou, Vasilios Karampatsis, Konstantinos Afratis, Vivi Bafiti, Martin Savard, Dionissios Papaioannou, Θεοδώρα Κάτσιλα, Fernand Gobeil, Gerasimos Rassias

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.

Bibliographic record

VenueArchiv der Pharmazie · 2023
Typearticle
Languageen
FieldMedicine
TopicCoagulation, Bradykinin, Polyphosphates, and Angioedema
Canadian institutionsUniversité de Sherbrooke
FundersUniversity of Patras
KeywordsChemistryAgonistBradykininCombinatorial chemistryIn vivoRepurposingIn vitroPharmacologyReceptorBiochemistry

Abstract

fetched live from OpenAlex

Abstract Using Fujisawa's B2R agonist FR‐190997, we recently demonstrated for the first time that agonism at the bradykinin receptor type 2 (B2R) produces substantial antiproliferative effects. FR‐190997 elicited an EC 50 of 80 nM in the triple‐negative breast cancer cell line MDA‐MB‐231, a much superior performance to that exhibited by most approved breast cancer drugs. Consequently, we initiated a program aiming primarily at synthesizing adequate quantities of FR‐190997 to support further in vitro and in vivo studies toward its repurposing for various cancers and, in parallel, enable the generation of novel FR‐190997 analogs for an SAR study. Prerequisite for this endeavor was to address the synthetic challenges associated with the FR‐190997 scaffold, which the Fujisawa chemists had constructed in 20 steps, 13 of which required chromatographic purification. We succeeded in developing a 17‐step synthesis amenable to late‐stage diversification that eliminated all chromatography and enabled access to multigram quantities of FR‐190997 and novel derivatives thereof, supporting further anticancer research based on B2R agonists.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

Full frame distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Observational · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.429
Threshold uncertainty score0.501

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.030
GPT teacher head0.289
Teacher spread0.259 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it