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Merck
CN

SML3645

LJH685

≥98% (HPLC)

Synonym(s):

2,6-Difluoro-4-(4-(4-(4-methylpiperazin-1-yl)phenyl)pyridin-3-yl)phenol, 2,6-Difluoro-4-[4-[4-(4-methyl-1-piperazinyl)phenyl]-3-pyridinyl]phenol, LJH 685, LJH-685, NVP-LJH685

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About This Item

Empirical Formula (Hill Notation):
C22H21F2N3O
CAS Number:
1627710-50-2
Molecular Weight:
381.42
MDL number:
MFCD29924738
UNSPSC Code:
12352200
NACRES:
NA.77

Key Documents

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Quality Level

100

Assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear (Warmed)

storage temp.

2-8°C

SMILES string

Fc1c(c(cc(c1)c2cnccc2c3ccc(cc3)N4CCN(CC4)C)F)O

InChI

1S/C22H21F2N3O/c1-26-8-10-27(11-9-26)17-4-2-15(3-5-17)18-6-7-25-14-19(18)16-12-20(23)22(28)21(24)13-16/h2-7,12-14,28H,8-11H2,1H3

InChI key

IKUFKDGKRLMXEX-UHFFFAOYSA-N

Related Categories

Biochem/physiol Actions

LJH685 is potent pan-RSK inhibitor that targets RSK N-terminal kinase domain (NTKD) ATP-binding site (IC50/[ATP] = 6 nM/5 μM/RSK1, 5 nM/20 μM/RSK2, 4 nM/10 μM/RSK3). LJI308 effectivelfy inhibits MAPK pathway-dependent cancer growth (EC50 values of 0.73 μM/MDA-MB-231 and 0.79 μM/H358) by reducing the phosphorylation level of cellular Y-box binding protein-1 (YB1) Ser102 (EC50 = 0.2-0.3 μM; MDA-MB-231 and H358), but not that of ribosomal S6 protein (S6RP) S235/236.
Potent pan-RSK inhibitor that targets RSK N-terminal kinase domain (NTKD) ATP-binding site.

Storage Class Code

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
0000242559
0000242560
0000235835
0000242560
0000242559

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Dewei Jiang et al.
Cell death and differentiation, 29(6), 1283-1295 (2022-01-14)
Y-box binding protein 1 (YB-1) is a well-known oncogene highly expressed in various cancers, including basal-like breast cancer (BLBC). Beyond its role as a transcription factor, YB-1 is newly defined as an epigenetic regulator involving RNA 5-methylcytosine. However, its specific
Xiaolin Guan et al.
Cell death discovery, 8(1), 84-84 (2022-02-27)
Breast cancer is one of the leading causes of mortality among women. Triple-negative breast cancer (TNBC) is responsible for a large percentage of all breast cancer deaths in women. This study demonstrated the function of Myb-like, SWIRM, and MPN domains
Ida Aronchik et al.
Molecular cancer research : MCR, 12(5), 803-812 (2014-02-21)
The p90 ribosomal S6 kinase (RSK) family of serine/threonine kinases is expressed in a variety of cancers and its substrate phosphorylation has been implicated in direct regulation of cell survival, proliferation, and cell polarity. This study characterizes and presents the

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