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Merck
CN

SML2824

Valiglurax

≥98% (HPLC)

Synonym(s):

N-(1H-Pyrazolo[3,4-b]pyridin-3-yl)-1-(trifluoromethyl)isoquinolin-6-amine, N-1H-Pyrazolo[3,4-b]pyridin-3-yl-1-(trifluoromethyl)-6-isoquinolinamine, VU0652957, VU2957

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About This Item

Empirical Formula (Hill Notation):
C16H10F3N5
CAS Number:
1976050-09-5
Molecular Weight:
329.28
UNSPSC Code:
12352200
NACRES:
NA.77
MDL number:
MFCD31916243

Key Documents

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SMILES string

FC(F)(F)c1nccc2c1ccc(c2)Nc3n[nH]c4ncccc43

InChI

1S/C16H10F3N5/c17-16(18,19)13-11-4-3-10(8-9(11)5-7-20-13)22-15-12-2-1-6-21-14(12)23-24-15/h1-8H,(H2,21,22,23,24)

InChI key

RUEXKBWCUUFJMY-UHFFFAOYSA-N

assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

Quality Level

100

Biochem/physiol Actions

Valiglurax is an orally available, CNS penetrant, potent and selective mGlu4 positive allosteric modulator (PAM).
orally available, CNS penetrant, potent and selective mGlu4 PAM

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
0000119620
0000119619
0000108739

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Joseph D Panarese et al.
Bioorganic & medicinal chemistry letters, 29(2), 342-346 (2018-12-07)
This letter describes the first account of the chemical optimization (SAR and DMPK profiling) of a new series of mGlu4 positive allosteric modulators (PAMs), leading to the identification of VU0652957 (VU2957, Valiglurax), a compound profiled as a preclinical development candidate.
Joseph D Panarese et al.
ACS medicinal chemistry letters, 10(3), 255-260 (2019-03-21)
Herein, we report the discovery of a novel potent, selective, CNS penetrant, and orally bioavailable mGlu4 PAM, VU0652957 (VU2957, Valiglurax). VU2957 possessed attractive in vitro and in vivo pharmacological and DMPK properties across species. To advance toward the clinic, a

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