GSK329 - Moligand™ , Inhibitor of B-Raf proto-oncogene; serine/threonine kinase;Inhibitor of TNNI3 interacting kinase, CAS No.G610715, Inhibitor of B-Raf proto-oncogene; serine/threonine kinase;Inhibitor of TNNI3 interacting kinase

CAS: G610715 Cat. No.: G610715 PubChem CID: 50997674

GRADE & PURITY Moligand™

Synonyms

compound 47;GSK-329

Storage

Room temperature

Specifications

Synonyme

compound 47;GSK-329

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Inhibitor of B-Raf proto-oncogene; serine/threonine kinase;Inhibitor of TNNI3 interacting kinase

Namen und Kennungen

Kanonisches Lächeln

CNc1cc(Oc2c(Cl)cc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2Cl)ncn1

IUPAC Name

1-[3,5-dichloro-4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea

InChIKey

QOQADIYOLOHRAW-UHFFFAOYSA-N

INCHI

1S/C19H14Cl2F3N5O2/c1-25-15-8-16(27-9-26-15)31-17-13(20)6-12(7-14(17)21)29-18(30)28-11-4-2-3-10(5-11)19(22,23)24/h2-9H,1H3,(H,25,26,27)(H2,28,29,30)

Isomere SMILES

CNC1=CC(=NC=N1)OC2=C(C=C(C=C2Cl)NC(=O)NC3=CC=CC(=C3)C(F)(F)F)Cl

PubChem CID

50997674

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylethers
• Alternative Parents: N-phenylureas Trifluoromethylbenzenes Dichlorobenzenes Phenol ethers Phenoxy compounds Aminopyrimidines and derivatives Secondary alkylarylamines Imidolactams Aryl chlorides Heteroaromatic compounds Ureas Azacyclic compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diaryl ether - Trifluoromethylbenzene - N-phenylurea - Phenoxy compound - 1,3-dichlorobenzene - Phenol ether - Aminopyrimidine - Halobenzene - Chlorobenzene - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Imidolactam - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Urea - Organoheterocyclic compound - Azacycle - Secondary amine - Alkyl fluoride - Organohalogen compound - Organochloride - Organofluoride - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
• 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)

BRAF Tclin Serine/threonine-protein kinase B-raf (0 Activities)

Discover Target: BRAF

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

TNNI3K Tchem Serine/threonine-protein kinase TNNI3K (2 Activities)

Discover Target: TNNI3K

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

MAPK14 Tchem MAP kinase p38 alpha (12866 Activities)

Discover Target: MAPK14

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

KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)

Discover Target: KDR

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

BRAF Tclin Serine/threonine-protein kinase B-raf (11587 Activities)

Discover Target: BRAF

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

Wirkungsmechanismen

Häufig gestellte Fragen

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 room temperature.

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

The CAS Number is G610715. InChIKey QOQADIYOLOHRAW-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.