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Record W1974256801 · doi:10.1002/ejoc.201200631

Synthesis of SHIP1‐Activating Analogs of the Sponge Meroterpenoid Pelorol

2012· article· en· W1974256801 on OpenAlexaff
Labros G. Meimetis, Matt Nodwell, Xiaoxia Wang, Joyce Wu, Curtis Harwig, Grant R. Stenton, Lloyd Mackenzie, Thomas MacRury, Brian O. Patrick, Andrew Ming‐Lum, Christopher J. Ong, Gerald Krystal, Alice Mui, Raymond J. Andersen

Bibliographic record

VenueEuropean Journal of Organic Chemistry · 2012
Typearticle
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicPI3K/AKT/mTOR signaling in cancer
Canadian institutionsUniversity of British Columbia
Fundersnot available
KeywordsChemistryBiomimetic synthesisStereochemistryIn vivoTotal synthesisCombinatorial chemistry

Abstract

fetched live from OpenAlex

Abstract Two biomimetic approaches have been used to synthesize analogs of the SHIP1‐activating sponge meroterpenoid pelorol ( 1 ). One approach started from the chiral pool plant natural product sclareolide, which has the same absolute configuration as pelorol. The second approach utilized an enantioselective polyene cyclization to efficiently access both absolute configurations of the pelorol meroterpenoid skeleton and to prepare A‐ring functionalized compounds. Selected analogs have been evaluated for water solubility and biological activity. It was found that the undesirable catechol and ester functionalities in 1 could be removed to give MN100 ( 3 ), without a decrease in SHIP1‐activating ability. A further refinement led to the resorcinol analog 18 , which is the most effective SHIP1‐activating pelorol analog made to date. The HCl salt of ent ‐ 28 , a C‐3 amino analog of 18 , is about 500,000‐fold more soluble in water than MN100 ( 3 ). (±)‐ 28·HCl activates SHIP1 in vitro, inhibits Akt phosphorylation in stimulated MOLT‐4 (SHIP+) cells, and is active in a dose‐dependent manner in a mouse model of inflammation when administered by oral gavage (ED 50 ≈ 0.1 mg/kg). Pelorol analogs ent ‐ 28 or (±)‐ 28 are promising chemical tools for further preclinical in vivo evaluation of the potential of SHIP1 activators as therapeutics for treating hematopoietic diseases involving aberrant activation of PI3K cell signaling.

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)0.001
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 score0.004
Threshold uncertainty score0.469

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.001
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 science0.0010.000
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 head0.215
Teacher spread0.205 · 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

Citations41
Published2012
Admission routes1
Has abstractyes

Explore more

Same venueEuropean Journal of Organic ChemistrySame topicPI3K/AKT/mTOR signaling in cancerFrench-language works237,207