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Record W2082138412 · doi:10.1002/jlcr.1260

Synthesis and deuterium labelling of the pure selective estrogen receptor modulator (SERM) acolbifene glucuronides

2007· article· en· W2082138412 on OpenAlexaff
Jean‐Yves Sancéau, Denis Larouche, Brigitte Caron, Patrick Bélanger, A. Coquet, Alain Bélanger, Fernand Labrie, Sylvain Gauthier

Bibliographic record

VenueJournal of Labelled Compounds and Radiopharmaceuticals · 2007
Typearticle
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicEstrogen and related hormone effects
Canadian institutionsUniversité Laval
Fundersnot available
KeywordsChemistrySelective estrogen receptor modulatorGlucuronideEnantiomerGlucuronidationHigh-performance liquid chromatographyEstrogenAlkylationEstrogen receptorStereochemistryEnantiomeric excessChromatographyIn vitroMetabolismBiochemistryBreast cancerCancerMicrosomeEnantioselective synthesis

Abstract

fetched live from OpenAlex

Abstract Acolbifene (EM‐652·HCl, SCH 57068·HCl), a highly potent and orally active selective estrogen receptor modulator (SERM), is at late stage clinical development for the treatment of estrogen‐sensitive breast cancer. Acolbifene‐7‐glucuronide 1 (major) and acolbifene‐4′‐glucuronide 2 (minor) were identified as metabolites of acolbifene in the human. The two monoglucuronides and a diglucuronide 3 as well as the corresponding 2 H‐labelled derivatives 4 – 6 were synthesised for use as preclinical and clinical standards for LC–MS/MS analysis. All glucuronides were prepared by the Schmidt glycosylation of monoprotected acolbifene with a glucuronyl imidate at −10°C to prevent epimerisation at the C‐2 position. The two monoglucuronides 1 and 2 of acolbifene were separated by semi‐preparative HPLC. Incorporation of three deuteriums was achieved by alkylation of chromanone 15 with C 2 H 3 MgI followed by dehydration with C 2 H 3 CO 2 2 H/ 2 H 2 O. After chemical resolution and salt neutralisation, [ 2 H 3 ]acolbifene 19 was obtained with 99.4% enantiomeric purity and >98% isotopic purity. Copyright © 2007 John Wiley & Sons, Ltd.

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.

How this classification was reachedexpand

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)0.001
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: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.017
Threshold uncertainty score0.514

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
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 head0.009
GPT teacher head0.267
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

Classification

machine, unvalidated

Machine predicted; a candidate call from one teacher head, not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations10
Published2007
Admission routes1
Has abstractyes

Explore more

Same venueJournal of Labelled Compounds and RadiopharmaceuticalsSame topicEstrogen and related hormone effectsFrench-language works237,207