LJH685 - ≥98% , CAS No.1627710-50-2

CAS: 1627710-50-2 Cat. No.: L413860 Summenformel: C₂₂H₂₁F₂N₃O Molekulargewicht: 381.42

QUALITÄT & REINHEIT ≥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

Übersicht

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 

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

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

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488202329

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

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

Molekulargewicht

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
    • Klasse Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

RPS6KA1 Tchem Ribosomal protein S6 kinase alpha-1 (1 Activities)

Discover Target: RPS6KA1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

RPS6KA2 Tchem Ribosomal protein S6 kinase alpha-2 (1 Activities)

Discover Target: RPS6KA2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

RPS6KA3 Tchem Ribosomal protein S6 kinase alpha-3 (3 Activities)

Discover Target: RPS6KA3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

RPS6KA1 Tchem Ribosomal protein S6 kinase alpha 1 (2796 Activities)

Discover Target: RPS6KA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RPS6KA2 Tchem Ribosomal protein S6 kinase alpha 2 (2184 Activities)

Discover Target: RPS6KA2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RPS6KA3 Tchem Ribosomal protein S6 kinase alpha 3 (4284 Activities)

Discover Target: RPS6KA3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HEK293 (82097 Activities)

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HCC1806 (544 Activities)

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MOLM-13 (2241 Activities)

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Zugehörige Ziele (nicht menschlich)

Rattus norvegicus (775804 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Liver microsome (341 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rps6ka3 Ribosomal protein S6 kinase alpha-3 (39 Activities)

Discover Target: Rps6ka3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

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

Häufig gestellte Fragen

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.