LJH685 - ≥98% , CAS No.1627710-50-2

CAS: 1627710-50-2 Cat. No.: L413860 Formule: C₂₂H₂₁F₂N₃O Poids moléculaire: 381.42

GRADE & PURITY ≥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

Vue d’ensemble

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 

Specifications

Synonymes

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

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 488202329
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202329
• Sourires canoniques: 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
• Isomères SMILES: CN1CCN(CC1)C2=CC=C(C=C2)C3=C(C=NC=C3)C4=CC(=C(C(=C4)F)O)F
• Poids moléculaire: 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
• Description: 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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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solubility (25°C) In vitro Ethanol: 20 mg/mL (52.43 mM); DMSO: 10 mg/mL (26.21 mM); Water: Insoluble
• Poids moléculaire: 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