LJH685 | CAS#1627710-50-2 | RSK inhibitor

MedKoo Cat#: 562435 | Name: LJH685

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Description:

WARNING: This product is for research use only, not for human or veterinary use.

LJH685 is a potent and specific RSK inhibitor.

Chemical Structure

LJH685

CAS#1627710-50-2

Theoretical Analysis

MedKoo Cat#: 562435

Name: LJH685

CAS#: 1627710-50-2

Chemical Formula: C22H21F2N3O

Exact Mass: 381.1653

Molecular Weight: 381.43

Elemental Analysis: C, 69.28; H, 5.55; F, 9.96; N, 11.02; O, 4.19

Price and Availability

Size	Price	Availability
5mg	USD 300.00	2 Weeks
10mg	USD 550.00	2 Weeks
25mg	USD 950.00	2 Weeks

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Related CAS #

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Synonym

LJH685; LJH685; LJH685; NVP-LJH685; NVP LJH685; NVPLJH685; NVP-LJH-685; NVP LJH 685;

IUPAC/Chemical Name

2,6-Difluoro-4-[4-[4-(4-methyl-1-piperazinyl)phenyl]-3-pyridinyl]-phenol

InChi Key

IKUFKDGKRLMXEX-UHFFFAOYSA-N

InChi Code

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

SMILES Code

OC1=C(F)C=C(C2=C(C3=CC=C(N4CCN(C)CC4)C=C3)C=CN=C2)C=C1F

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>2 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Product Data

Product Data

Instruction

View handling instruction

Biological target:

LJH685 is a potent, ATP-competitive and selective RSK inhibitor, inhibits RSK1, 2, and 3 biochemical activities with IC50s of 6, 5, 4 nM, respectively.

In vitro activity:

Structural analysis confirms binding of LJH685 to the RSK2 N-terminal kinase ATP-binding site and reveals that the inhibitor adopts an unusual nonplanar conformation that explains its excellent selectivity for RSK family kinases. LJH685 and LJI308 efficiently inhibit RSK activity in vitro and in cells. Reference: Mol Cancer Res. 2014 May;12(5):803-12. https://pubmed.ncbi.nlm.nih.gov/24554780/

In vivo activity:

While establishing an in vivo model for uncovering the role of RSK3 in necroptosis, this study first analyzed visual function and necrosis of retinal neurons in rats after aHIOP. After pretreatment with LJH685 before aHIOP, the number of necrotic cells was reduced in the retinal GCL and INL (Figure 9g,h). In addition, statistical analysis of the LDH release assay (Figure 9n) showed that the release of LDH in the LJH685 pretreatment group was significantly lower than in the normal and sham groups (p < .05). Reference: J Anat. 2020 Jul;237(1):29-47. https://pubmed.ncbi.nlm.nih.gov/32162697/

	Solvent	mg/mL	mM
Solubility
	DMF	30.0	78.65
	DMSO	23.7	62.05
	DMSO:PBS (pH 7.2) (1:7)	0.1	0.33
	Ethanol	11.3	29.49

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 381.43 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

Formulation protocol:

1. Aronchik I, Appleton BA, Basham SE, Crawford K, Del Rosario M, Doyle LV, Estacio WF, Lan J, Lindvall MK, Luu CA, Ornelas E, Venetsanakos E, Shafer CM, Jefferson AB. Novel potent and selective inhibitors of p90 ribosomal S6 kinase reveal the heterogeneity of RSK function in MAPK-driven cancers. Mol Cancer Res. 2014 May;12(5):803-12. doi: 10.1158/1541-7786.MCR-13-0595. Epub 2014 Feb 19. PMID: 24554780. 2. Casalvieri KA, Matheson CJ, Backos DS, Reigan P. Substituted pteridinones as p90 ribosomal S6 protein kinase (RSK) inhibitors: A structure-activity study. Bioorg Med Chem. 2020 Mar 1;28(5):115303. doi: 10.1016/j.bmc.2019.115303. Epub 2020 Jan 12. PMID: 31982240. 1. Aronchik I, Appleton BA, Basham SE, Crawford K, Del Rosario M, Doyle LV, Estacio WF, Lan J, Lindvall MK, Luu CA, Ornelas E, Venetsanakos E, Shafer CM, Jefferson AB. Novel potent and selective inhibitors of p90 ribosomal S6 kinase reveal the heterogeneity of RSK function in MAPK-driven cancers. Mol Cancer Res. 2014 May;12(5):803-12. doi: 10.1158/1541-7786.MCR-13-0595. Epub 2014 Feb 19. PMID: 24554780. 2. Casalvieri KA, Matheson CJ, Backos DS, Reigan P. Substituted pteridinones as p90 ribosomal S6 protein kinase (RSK) inhibitors: A structure-activity study. Bioorg Med Chem. 2020 Mar 1;28(5):115303. doi: 10.1016/j.bmc.2019.115303. Epub 2020 Jan 12. PMID: 31982240. 3. Zhang S, Liu J, Lu ZY, Xue YT, Mu XR, Liu Y, Cao J, Li ZY, Li F, Xu KL, Wu QY. Combination of RSK inhibitor LJH-685 and FLT3 inhibitor FF-10101 promoted apoptosis and proliferation inhibition of AML cell lines. Cell Oncol (Dordr). 2022 Oct;45(5):1005-1018. doi: 10.1007/s13402-022-00703-7. Epub 2022 Aug 29. PMID: 36036884. 4. Wang M, Wan H, Wang S, Liao L, Huang Y, Guo L, Liu F, Shang L, Huang J, Ji D, Xia X, Jiang B, Chen D, Xiong K. RSK3 mediates necroptosis by regulating phosphorylation of RIP3 in rat retinal ganglion cells. J Anat. 2020 Jul;237(1):29-47. doi: 10.1111/joa.13185. Epub 2020 Mar 12. PMID: 32162697; PMCID: PMC7309291.

In vitro protocol:

In vivo protocol:

1. Zhang S, Liu J, Lu ZY, Xue YT, Mu XR, Liu Y, Cao J, Li ZY, Li F, Xu KL, Wu QY. Combination of RSK inhibitor LJH-685 and FLT3 inhibitor FF-10101 promoted apoptosis and proliferation inhibition of AML cell lines. Cell Oncol (Dordr). 2022 Oct;45(5):1005-1018. doi: 10.1007/s13402-022-00703-7. Epub 2022 Aug 29. PMID: 36036884. 2. Wang M, Wan H, Wang S, Liao L, Huang Y, Guo L, Liu F, Shang L, Huang J, Ji D, Xia X, Jiang B, Chen D, Xiong K. RSK3 mediates necroptosis by regulating phosphorylation of RIP3 in rat retinal ganglion cells. J Anat. 2020 Jul;237(1):29-47. doi: 10.1111/joa.13185. Epub 2020 Mar 12. PMID: 32162697; PMCID: PMC7309291.

1: Aronchik I, Appleton BA, Basham SE, Crawford K, Del Rosario M, Doyle LV, Estacio WF, Lan J, Lindvall MK, Luu CA, Ornelas E, Venetsanakos E, Shafer CM, Jefferson AB. Novel potent and selective inhibitors of p90 ribosomal S6 kinase reveal the heterogeneity of RSK function in MAPK-driven cancers. Mol Cancer Res. 2014 May;12(5):803-12. doi: 10.1158/1541-7786.MCR-13-0595. Epub 2014 Feb 19. PubMed PMID: 24554780.