MétaCan
Menu
Back to cohort
Record W2060121821 · doi:10.1021/ja002038h

Synthesis and Conformational Analysis of a Sulfonium-Ion Analogue of the Glycosidase Inhibitor Castanospermine

2000· article· en· W2060121821 on OpenAlexaff
Lars Svansson, Blair D. Johnston, Jianhua Gu, Brian O. Patrick, B. Mario Pinto

Bibliographic record

VenueJournal of the American Chemical Society · 2000
Typearticle
Languageen
FieldChemistry
TopicCarbohydrate Chemistry and Synthesis
Canadian institutionsSimon Fraser University
Fundersnot available
KeywordsSulfoniumChemistryCastanospermineIndolizidineStereochemistrySteric effectsCyclopentaneGlycoside hydrolaseSalt (chemistry)EnzymeAlkaloidOrganic chemistry

Abstract

fetched live from OpenAlex

The synthesis of a bridgehead sulfonium salt analogue ( 7 ) of the indolizidine alkaloid castanospermine has been achieved by a multistep procedure starting from 5-thio- d -glucopyranose pentaacetate. The compound was intended to test the theory that glycosidase inhibitory activity of the indolizidine alkaloids might be due to electrostatic stabilization of a positively charged species in the enzyme active site and that a sulfonium salt carrying a permanent positive charge might be advantageous. The structure of the bicylic sulfonium salt ( 7 ) [3( R ),4( S ),5( R ),6( S )-3,4,5-trihydroxy- cis- 1-thioniabicyclo[4.3.0]nonane perchlorate] was confirmed by X-ray crystallography. Analysis of the 1 H NMR spectrum of compound 7 indicated that a similar conformation was adopted in solution. This conformational preference, with hydroxyl groups in the more sterically hindered axial orientations, has been attributed to the dominance of stabilizing electrostatic interactions between the oxygen atoms and the sulfonium center.

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)0.000
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: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.002
Threshold uncertainty score0.620

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0000.001
Science and technology studies0.0000.001
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0010.000

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 head0.007
GPT teacher head0.218
Teacher spread0.211 · 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

Citations64
Published2000
Admission routes1
Has abstractyes

Explore more

Same venueJournal of the American Chemical SocietySame topicCarbohydrate Chemistry and SynthesisFrench-language works237,207