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Details

Stereochemistry ACHIRAL
Molecular Formula C8H5F3O2S
Molecular Weight 222.184
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THENOYLTRIFLUOROACETONE

SMILES

FC(F)(F)C(=O)CC(=O)C1=CC=CS1

InChI

InChIKey=TXBBUSUXYMIVOS-UHFFFAOYSA-N
InChI=1S/C8H5F3O2S/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2

HIDE SMILES / InChI

Molecular Formula C8H5F3O2S
Molecular Weight 222.184
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Thenoyltrifluoroacetone (TTFA) is a chelating agent and inhibitor of cellular respiration. Studies indicate that thenoyltrifluoroacetone is a potent inhibitor of carboxylesterase activity, in addition to its ability to inhibit mitochondrial complex II activity. Thenoyltrifluoroacetone has been shown to specifically inhibit electron transfer from Fe-S centre S-3 (cluster 3) of succinate dehydrogenase to oxidized ubiquinone and ubisemiquinone pairs.

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
26.0 µM [EC50]
0.54 µM [IC50]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Preventing
Unknown
Primary
Unknown

PubMed

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Thenoyltrifluoroacetone markedly decreased H202 production with a 74% maximal inhibition and a half-maximal effect at about 60uM.
Substance Class Chemical
Record UNII
MYQ9MNW7NI
Record Status Validated (UNII)
Record Version