OTSSP167 - Moligand™, ≥98% , Inhibitor of maternal embryonic leucine zipper kinase, CAS No.1431697-89-0, Inhibitor of maternal embryonic leucine zipper kinase

CAS: 1431697-89-0 Cat. No.: O356679 Summenformel: C₂₅H₂₈Cl₂N₄O₂ Molekulargewicht: 487.42

GRADE & PURITY Moligand™, ≥98%

Synonyms

VY778IXU5T | 1431697-89-0 (free base) | AKOS030526527 | 1-(6-(3,5-Dichloro-4-hydroxyphenyl)-4-(((1r,4r)-4-((dimethylamino)methyl)cyclohexyl)amino)-1,5-naphthyridin-3-yl)ethan-1-one | 1-(6-(3,5-Dichloro-4-hydroxyphenyl)-4-((trans-4-((dimethylamino)methyl)c

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

VY778IXU5T | 1431697-89-0 (free base) | AKOS030526527 | 1-(6-(3,5-Dichloro-4-hydroxyphenyl)-4-(((1r,4r)-4-((dimethylamino)methyl)cyclohexyl)amino)-1,5-naphthyridin-3-yl)ethan-1-one | 1-(6-(3,5-Dichloro-4-hydroxyphenyl)-4-((trans-4-((dimethylamino)methyl)c

Spezifikationen & Reinheit

Moligand™, ≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Inhibitor of maternal embryonic leucine zipper kinase

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: CC(=O)C1=CN=C2C=CC(=NC2=C1NC3CCC(CC3)CN(C)C)C4=CC(=C(C(=C4)Cl)O)Cl
• IUPAC Name: 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1,5-naphthyridin-3-yl]ethanone
• InChIKey: DKZYXHCYPUVGAF-UHFFFAOYSA-N
• INCHI: 1S/C25H28Cl2N4O2/c1-14(32)18-12-28-22-9-8-21(16-10-19(26)25(33)20(27)11-16)30-24(22)23(18)29-17-6-4-15(5-7-17)13-31(2)3/h8-12,15,17,33H,4-7,13H2,1-3H3,(H,28,29)
• Isomere SMILES: CC(=O)C1=CN=C2C=CC(=NC2=C1NC3CCC(CC3)CN(C)C)C4=CC(=C(C(=C4)Cl)O)Cl
• UN-Nummer: 3077
• Verpackungsgruppe: III
• Molekulargewicht: 487.42
• Reaxy-Rn: 32017745
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32017745&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Naphthyridines O-chlorophenols Dichlorobenzenes Aryl alkyl ketones Aryl chlorides Vinylogous amides Secondary ketimines Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-phenylpyridine - Diazanaphthalene - Naphthyridine - Aryl alkyl ketone - Aryl ketone - 2-chlorophenol - 2-halophenol - 1,3-dichlorobenzene - Phenol - Halobenzene - Chlorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Vinylogous amide - Secondary ketimine - Tertiary aliphatic amine - Tertiary amine - Ketone - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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)

MELK Tchem Maternal embryonic leucine zipper kinase (1 Activities)

Discover Target: MELK

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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 487.400 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 486.159 Da
• Monoisotopic Mass: 486.159 Da
• Topological Polar Surface Area: 78.400 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 648.000
• 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.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

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 1431697-89-0, the molecular formula is C25H28Cl2N4O2, and the molecular weight is 487.42 g/mol. InChIKey DKZYXHCYPUVGAF-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.