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Record W2286824827

Synthesis and structure-activity relationship of Tc/Re 2-arylbenzothiazoles as β-amyloid imaging agents

2012· article· en· W2286824827 on OpenAlexaff
Jinhe Pan, N. Scott Mason, Manik L. Debnath, Chester A. Mathis, William E. Klunk, Kuo‐Shyan Lin

Bibliographic record

Venuenot available
Typearticle
Languageen
FieldComputer Science
TopicComputational Drug Discovery Methods
Canadian institutionsBC Cancer Agency
Fundersnot available
KeywordsLipophilicityABTSChemistryPittsburgh compound BPet imagingChelationStereochemistryPositron emission tomographyBiochemistryNuclear medicineOrganic chemistryAlzheimer's diseaseMedicinePathologyAntioxidant
DOInot available

Abstract

fetched live from OpenAlex

1555 Objectives PET tracers for imaging brain β-amyloid (Aβ) plaque have been successfully applied in clinical studies of Alzheimer’s disease (AD). These include 2-arylbenzothiazoles (2-ABTs) [11C]PiB and [18F]Flutemetamol developed at the University of Pittsburgh. In this study, we aim at exploring 99mTc labeled 2-ABTs for imaging Aβ plaques with the less expensive and more accessible imaging modality SPECT. Methods Re 2-ABTs were synthesized via the integrated approach to minimize the overall molecular weight. The binding affinity was measured using synthetic Aβ1-40 fibrils, and the lipophilicity was determined using their HPLC partition coefficients PC18 as an estimation. 99mTc labeling was performed by direct labeling using SnCl2 as the reducing agent. The ability to cross blood-brain barrier was determined by brain uptake in mice at 2 min postinjection (pi). Results By using Re as a surrogate of Tc, a total of 35 neutral and compact Re 2-ABTs with an integrated N3S, N2S2, or N2SO chelator were prepared. These Re 2-ABTs are lipophilic (logPC18= 0.67-3.25) and bind to Aβ1-40 fibrils with a range of affinities (Ki= 29.7-861 nM). Re 2-ABTs with a diaminedithiol or diamine-thiol-phenol chelator integrated at the 3’ and 4’ positions of the phenyl group show better binding affinity to Aβ1-40 fibrils (Ki= 29.7-109 nM). The 99mTc analog of the most potent Re 2-ABT (Ki= 29.7nM; logPC18= 1.65) was prepared in >80 % radiochemical yield and its uptake in mouse brain at 2 min pi was 0.27 %ID/g. Conclusions The 99mTc-labeled 2-ABT reported here is not suitable for imaging Aβ plaques in the brain parenchyma of AD patients due to its limited ability to cross the blood-brain barrier. However, without high background interference from brain parenchyma it might be advantageous to use 99mTc-labeled 2-ABT for imaging Aβ deposition in blood vessels known as cerebral amyloid angiopathy, a common cause of hemorrhagic stroke and dementia in the elderly

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 machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation 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 score0.001
Threshold uncertainty score0.003

Distilled classifier scores by category (both heads)

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)0.0010.000

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 head0.040
GPT teacher head0.319
Teacher spread0.279 · 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 source (direct Gemma or distilled Codex), 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".

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Citations0
Published2012
Admission routes1
Has abstractyes

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