LJH685 - ≥98% , CAS No.1627710-50-2

CAS: 1627710-50-2 Cat. No.: L413860 Formula: C₂₂H₂₁F₂N₃O Peso molecolare: 381.42

QUALITÀ & PUREZZA ≥98%

Synonyms

CCG-268422 | AKOS030526619 | 2,6-difluoro-4-[4-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridyl]phenol | LJH 685 | Phenol, 2,6-difluoro-4-(4-(4-(4-methyl-1-piperazinyl)phenyl)-3-pyridinyl)- | MS-26250 | LJH685 | LJH-685 | F85376 | HY-19712 | Q27453129 | EX-A2

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Information

LJH685 LJH685 is a potent pan- RSK inhibitor with IC50 of 6 nM, 5 nM and 4 nM for RSK1, RSK2, and RSK3, respectively.

Targets

RSK3 (Cell-free assay); RSK2 (Cell-free assay); RSK1 (Cell-free assay) 4 nM; 5 nM; 6 nM

In vitro

LJH685 modulates YB1 phosphorylation by potently and selectively inhibiting RSK in cells. In MAPK pathway–dependent cancer cell lines, LJH685 shows antiproliferative effects, and causes cell-cycle regulation and apoptosis induction.

Cell Research(from reference)

Cell lines：Calu6, NCI-H2122, NCI-H358, NCI-H727, NCI-H2087, SW620, SW480, HT29, Capan-2, MiaPaCa2, SW1990, Panc02.03, MDA-MB-231, A375, G361, Colo205, Malme3M, WM1799, WM983B and WM266-4 cells 

Concentrations：~100 μM 

Incubation Time：72 h 

Specifiche

Sinonimi

CCG-268422 | AKOS030526619 | 2,6-difluoro-4-[4-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridyl]phenol | LJH 685 | Phenol, 2,6-difluoro-4-(4-(4-(4-methyl-1-piperazinyl)phenyl)-3-pyridinyl)- | MS-26250 | LJH685 | LJH-685 | F85376 | HY-19712 | Q27453129 | EX-A2

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

LJH685 is a potent pan-RSK inhibitor with IC50 of 6 nM, 5 nM and 4 nM for RSK1, RSK2, and RSK3, respectively.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488202329

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488202329

Sorrisi canonici

CN1CCN(CC1)C2=CC=C(C=C2)C3=C(C=NC=C3)C4=CC(=C(C(=C4)F)O)F

IUPAC Name

2,6-difluoro-4-[4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl]phenol

InChIKey

IKUFKDGKRLMXEX-UHFFFAOYSA-N

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

Isomeri SMILES

CN1CCN(CC1)C2=CC=C(C=C2)C3=C(C=NC=C3)C4=CC(=C(C(=C4)F)O)F

Peso molecolare

381.42

Reaxy-Rn

28553522

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28553522&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: Phenylpyridines N-arylpiperazines O-fluorophenols Dialkylarylamines Aniline and substituted anilines N-methylpiperazines Fluorobenzenes Aryl fluorides Heteroaromatic compounds Trialkylamines Azacyclic compounds Organooxygen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - 3-phenylpyridine - 4-phenylpyridine - N-arylpiperazine - 2-halophenol - 2-fluorophenol - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - N-alkylpiperazine - N-methylpiperazine - Phenol - Fluorobenzene - Halobenzene - Aryl fluoride - Pyridine - Monocyclic benzene moiety - Aryl halide - Benzenoid - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Hydrocarbon derivative - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solubility (25°C) In vitro Ethanol: 20 mg/mL (52.43 mM); DMSO: 10 mg/mL (26.21 mM); Water: Insoluble
• Peso molecolare: 381.400 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 381.165 Da
• Monoisotopic Mass: 381.165 Da
• Topological Polar Surface Area: 39.600 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 482.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1627710-50-2, the molecular formula is C22H21F2N3O, and the molecular weight is 381.42 g/mol. InChIKey IKUFKDGKRLMXEX-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.