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Chemical structure of 2614W94

GC31021

2614W94

Also known as 3-(1,1,1-trifluoropropan-2-yloxy)phenoxathiine 10,10-dioxide

2614W94 is a selective, reversible inhibitor of monoamine oxidase-A with a competitive mechanism of inhibition and IC50 of 5 nM and Ki of 1·6 nM with serotonin as substrate

ChemicalCAS205187-35-5MW344.31FormulaC15H11F3O4S
CAS number
205187-35-5
Molecular weight
344.31
Formula
C15H11F3O4S
Solubility
DMSO ： 100 mg/mL (290·44 mM; Need ultrasonic)
InChIKey
ZWKJZNQUILFRHJ-UHFFFAOYSA-N
Catalogue number
GC31021
Brand
GLPBIO
Computed properties PubChem CID 9928081 · XLogP 3.8 · TPSA 61 Ų · H-bond donors 0
XLogP
3.8
TPSA
61 Ų
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
23

SMILES CC(C(F)(F)F)OC1=CC2=C(C=C1)S(=O)(=O)C3=CC=CC=C3O2

Computed descriptors from PubChem (CID 9928081), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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