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Merck
CN

SML3455

Idalopirdine

≥98% (HPLC)

Synonym(s):

2-(6-fluoro-1H-indol-3-yl)-ethyl]-[3-(2,2,3,3-tetrafluoropropoxy)-benzyl]-amine, 6-Fluoro-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]-1H-indole-3-ethanamine, Lu AE58054

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About This Item

Empirical Formula (Hill Notation):
C20H19F5N2O
CAS Number:
467459-31-0
Molecular Weight:
398.37
UNSPSC Code:
51111800
NACRES:
NA.77
MDL number:
MFCD18633269

Key Documents

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SMILES string

FC(F)(C(F)F)COc1cc(ccc1)CNCCc2c3c([nH]c2)cc(cc3)F

InChI

1S/C20H19F5N2O/c21-15-4-5-17-14(11-27-18(17)9-15)6-7-26-10-13-2-1-3-16(8-13)28-12-20(24,25)19(22)23/h1-5,8-9,11,19,26-27H,6-7,10,12H2

InChI key

YBAWYTYNMZWMMJ-UHFFFAOYSA-N

assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

-10 to -25°C

Quality Level

100

Biochem/physiol Actions

Idalopirdine (Lu AE58054) is an orally available, and potent antagonist of the serotonin 6 (5-HT6) receptor. Idalopirdine has been reported to be highly selective over other G-protein coupled receptors. It has K(d) of 0.2nM for the 5-HT6 receptor with 16-fold selectivity over the 5-HT2A receptor (K(i) 3.2nM) and >100-fold selectivity to all other evaluated targets.
Orally available, selective and potent antagonist of the serotonin 6 (5-HT6) receptor.

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
0000191649
0000187615
0000187615
0000191649

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