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A higher-yield route to FP–PEG–biotin ABPP probe

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Reworking Cravatt’s FP–PEG–biotin synthesis cuts chromatography and raises overall yield from 1% to 28.5%.

Source

An improved synthesis of a fluorophosphonate-polyethylene glycol-biotin probe and its use against competitive substrates

Xu H, Sabit H, Amidon GL, et al. · Beilstein journal of organic chemistry · 2013

doi.org/10.3762/bjoc.9.12Read the full paper ↗6 citationscc by

What they did

Authors redesigned the route from tetraethylene glycol via tosylate/iodide, Arbuzov phosphonate, hydrogenolysis, succinimidyl carbonate, biotin coupling, and DAST fluorination, then tested the probe on serine hydrolases and reversible-substrate competition.

What they found

Nine steps, four chromatographies, 28.5% overall yield versus six chromatographies/eight steps and 1% in the original sequence. Key steps: 90% to iodide 4b, 92% Arbuzov, 96% debenzylation, 87% carbonate, 76% biotin coupling, 80% DAST. The probe labels serine hydrolases in proteomes.

The limits

What it doesn't show

Competition with reversible substrates is preliminary; this is not a new enzyme-inhibitor campaign with full Ki tables.

Key terms

Fluorophosphonate (FP) probe
Covalent serine-hydrolase warhead derived from DFP, here biotin-tagged.
ABPP
Activity-based protein profiling using covalent probes and enrichment.
Arbuzov reaction
Alkyl iodide plus triethyl phosphite to install a phosphonate.
DAST
Diethylaminosulfur trifluoride, used to convert phosphonate to fluorophosphonate.
PEG linker
Polyethylene glycol spacer between warhead and biotin handle.

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New overall yield of FP–PEG–biotin:

Common questions

What overall yield was achieved?

28.5% over nine steps vs 1% previously.

How many chromatographies?

Four, versus six in the Cravatt sequence.

Last step?

DAST fluorination at −42 °C, 80% yield.

What enzymes does it target?

Serine hydrolases in proteome samples.

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