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Record W4387492877 · doi:10.1021/acsomega.3c05377

Optimization of 3-Cyano-7-cyclopropylamino-pyrazolo[1,5- <i>a</i> ]pyrimidines toward the Development of an In Vivo Chemical Probe for CSNK2A

2023· article· en· W4387492877 on OpenAlexfundno aff
Xuan Yang, Han Wee Ong, Rebekah J. Dickmander, Jeffery L. Smith, Jason W. Brown, William C. Tao, Edcon Chang, Nathaniel J. Moorman, Alison D. Axtman, Timothy M. Willson

Bibliographic record

VenueACS Omega · 2023
Typearticle
Languageen
FieldPharmacology, Toxicology and Pharmaceutics
TopicPharmacogenetics and Drug Metabolism
Canadian institutionsnot available
FundersCommon FundLineberger Comprehensive Cancer Center, University of North Carolina at Chapel HillNational Institute of Diabetes and Digestive and Kidney DiseasesTakeda OncologyGenentechUNC Eshelman School of Pharmacy, University of North Carolina at Chapel HillOntario Genomics InstituteEuropean Federation of Pharmaceutical Industries and AssociationsMerck KGaANational Institutes of HealthOntario GenomicsGenome CanadaPfizerBristol-Myers SquibbNorth Carolina Biotechnology CenterBayerMcGill UniversityUniversity of North Carolina at Chapel HillU.S. Department of Defense
KeywordsIn vivoChemistryPharmacokineticsEnzymeCovalent bondPharmacologyCombinatorial chemistryBiochemistryStereochemistryOrganic chemistryMedicineBiology

Abstract

fetched live from OpenAlex

High Resolution Image Download MS PowerPoint Slide 3-Cyano-7-cyclopropylamino-pyrazolo[1,5- a ]pyrimidines, including the chemical probe SGC-CK2-1, are potent and selective inhibitors of CSNK2A in cells but have limited utility in animal models due to their poor pharmacokinetic properties. While developing analogues with reduced intrinsic clearance and the potential for sustained exposure in mice, we discovered that phase II conjugation by GST enzymes was a major metabolic transformation in hepatocytes. A protocol for codosing with ethacrynic acid, a covalent reversible GST inhibitor, was developed to improve the exposure of analogue 2h in mice. A double codosing protocol, using a combination of ethacrynic acid and irreversible P450 inhibitor 1-aminobenzotriazole, increased the blood level of 2h by 40-fold at a 5 h time point.

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 score0.019
Threshold uncertainty score0.649

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
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 head0.116
GPT teacher head0.409
Teacher spread0.293 · 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

Citations17
Published2023
Admission routes1
Has abstractyes

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