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Merck
CN

PZ0297

PF-06305591 dihydrate

≥98% (HPLC)

Synonym(s):

(αR,βS)-β-Amino-6-(1,1-dimethylethyl)-α-methyl-1H-benzimidazole-2-propanamide dihydrate

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About This Item

Empirical Formula (Hill Notation):
C15H22N4O · 2H2O
CAS Number:
1449473-97-5
Molecular Weight:
310.39
UNSPSC Code:
12352200
PubChem Substance ID:
329823820
NACRES:
NA.77

Key Documents

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SMILES string

C[C@@H](C(N)=O)[C@H](N)C1=NC2=CC(C(C)(C)C)=CC=C2N1

InChI

1S/C15H22N4O/c1-8(13(17)20)12(16)14-18-10-6-5-9(15(2,3)4)7-11(10)19-14/h5-8,12H,16H2,1-4H3,(H2,17,20)(H,18,19)/t8-,12+/m1/s1

InChI key

APWZIFIAVVFPNT-PELKAZGASA-N

assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 20 mg/mL, clear

shipped in

wet ice

storage temp.

−20°C

Quality Level

100

Biochem/physiol Actions

PF-06305591 is a potent and highly selective sodium channel Nav1.8 inhibitor.
PF-06305591 is safe and has acceptable absorption, distribution, metabolism, and elimination (ADME) properties.

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

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
0000235846
0000235846
0000128875
0000128874
0000111745

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Alan D Brown et al.
Bioorganic & medicinal chemistry, 27(1), 230-239 (2018-12-13)
The voltage gated sodium channel NaV1.8 has been postulated to play a key role in the transmission of pain signals. Core hopping from our previously reported phenylimidazole leads has allowed the identification of a novel series of benzimidazole NaV1.8 blockers.

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