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SML2324

Sigma-Aldrich

NLX-112 hydrochloride

≥98% (HPLC)

Synonym(s):

(3-Chloro-4-fluorophenyl)[4-fluoro-4-[[[(5-methyl-2-pyridinyl)methyl]amino]methyl]-1-piperidinyl]methanone hydrochloride, Befiradol hydrochloride, F13640 hydrochloride

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About This Item

Empirical Formula (Hill Notation):
C20H22ClF2N3O · xHCl
CAS Number:
208110-64-9
Molecular Weight:
393.86 (free base basis)
UNSPSC Code:
12352200
NACRES:
NA.77

Assay

≥98% (HPLC)

form

powder

storage condition

desiccated

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

SMILES string

FC2(CCN(CC2)C(=O)c3cc(c(cc3)F)Cl)CNCc1ncc(cc1)C

InChI

1S/C20H22ClF2N3O/c1-14-2-4-16(25-11-14)12-24-13-20(23)6-8-26(9-7-20)19(27)15-3-5-18(22)17(21)10-15/h2-5,10-11,24H,6-9,12-13H2,1H3

InChI key

PKZXLMVXBZICTF-UHFFFAOYSA-N

Biochem/physiol Actions

NLX-112 (also known as befiradol or F13640) is a highly selective 5-HT1A receptor full agonist with >1000-fold selectivity compared to other types of receptors. It has been investigated for the treatment of Parkinson′s disease patients who exhibit L-DOPA-induced dyskinesia

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
0000132500
0000047770
0000047771
0000038877

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H Iderberg et al.
Experimental neurology, 271, 335-350 (2015-06-04)
L-DOPA is the gold-standard treatment for Parkinson's disease (PD), but induces troublesome dyskinesia after prolonged treatment. This is associated with the 'false neurotransmitter' conversion of L-DOPA to dopamine by serotonin neurons projecting from the raphe to the dorsal striatum. Reducing
Adrian Newman-Tancredi et al.
The Journal of pharmacy and pharmacology, 69(9), 1178-1190 (2017-06-15)
NLX-112 (befiradol, F13640) is a selective serotonin 5-HT1A receptor agonist. Although it has been tested in vivo, little has been reported on its in vitro signal transduction profile. NLX-112 was tested on G-protein activation, inhibition of adenylyl cyclase, ERK1/2 phosphorylation (pERK)
Andrew C McCreary et al.
Neuropharmacology, 105, 651-660 (2016-01-19)
Although l-DOPA alleviates the motor symptoms of Parkinson's disease (PD), it elicits troublesome l-DOPA-induced dyskinesia (LID) in a majority of PD patients after prolonged treatment. This is likely due to conversion of l-DOPA to dopamine as a 'false neurotransmitter' from

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