ML 354 - CAS 89159-60-4
Category: Inhibitor
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Molecular Formula:
C16H14N2O3
Molecular Weight:
282.29
COA:
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Targets:
Protease-Activated Receptors (PARs)
Description:
ML 354 is a selective PAR4 antagonist with IC50 value of 140 nM.
Purity:
≥98% by HPLC
Synonyms:
ML354; ML-354; ML 354; VU0099704; VU-0099704; VU 0099704; 1-Methyl-5-nitro-3-phenyl-1H-indole-2-methanol
MSDS:
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InChIKey:
GNJUKVGDCUKDLF-UHFFFAOYSA-N
InChI:
InChI=1S/C16H14N2O3/c1-17-14-8-7-12(18(20)21)9-13(14)16(15(17)10-19)11-5-3-2-4-6-11/h2-9,19H,10H2,1H3
Canonical SMILES:
CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=C1CO)C3=CC=CC=C3
1.Substituted indoles as selective protease activated receptor 4 (PAR-4) antagonists: Discovery and SAR of ML354.
Wen W;Young SE;Duvernay MT;Schulte ML;Nance KD;Melancon BJ;Engers J;Locuson CW 2nd;Wood MR;Daniels JS;Wu W;Lindsley CW;Hamm HE;Stauffer SR Bioorg Med Chem Lett. 2014 Oct 1;24(19):4708-4713. doi: 10.1016/j.bmcl.2014.08.021. Epub 2014 Aug 15.
Herein we report the discovery and SAR of an indole-based protease activated receptor-4 (PAR-4) antagonist scaffold derived from a similarity search of the Vanderbilt HTS collection, leading to MLPCN probe ML354 (VU0099704). Using a novel PAC-1 fluorescent αIIbβ3 activation assay this probe molecule antagonist was found to have an IC50 of 140nM for PAR-4 with 71-fold selectivity versus PAR-1 (PAR-1IC50=10μM).
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CAS 89159-60-4 ML 354

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