Example A225 [WO2012170976A2] - Moligand™ , Inhibitor of Bruton tyrosine kinase, CAS No.E610259, Inhibitor of Bruton tyrosine kinase

CAS: E610259 Cat. No.: E610259 PubChem CID: 86721856

GRADE & PURITY Moligand™

Synonyms

TL-895;TL895

Storage

Room temperature

Specifications

Synonymes

TL-895;TL895

Spécifications et pureté

Moligand™

Conditions de stockage de stockage

Room temperature

Grade

Moligand™

Type d'action

INHIBITOR

Mécanisme d'action

Inhibitor of Bruton tyrosine kinase

Noms et identifiants

• Sourires canoniques: C=CC(=O)N1CCC(CC1)(CNc1ncnc(c1c1ccc(cc1)Oc1ccccc1)N)F
• IUPAC Name: 1-[4-[[[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino]methyl]-4-fluoropiperidin-1-yl]prop-2-en-1-one
• InChIKey: OXOXFDSEGFLWLU-UHFFFAOYSA-N
• INCHI: 1S/C25H26FN5O2/c1-2-21(32)31-14-12-25(26,13-15-31)16-28-24-22(23(27)29-17-30-24)18-8-10-20(11-9-18)33-19-6-4-3-5-7-19/h2-11,17H,1,12-16H2,(H3,27,28,29,30)
• Isomères SMILES: C=CC(=O)N1CCC(CC1)(CNC2=NC=NC(=C2C3=CC=C(C=C3)OC4=CC=CC=C4)N)F
• PubChem CID: 86721856

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Phenylpyrimidines Diarylethers N-acylpiperidines Phenoxy compounds Phenol ethers Aminopyrimidines and derivatives Imidolactams Acrylic acids and derivatives Heteroaromatic compounds Tertiary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organofluorides Hydrocarbon derivatives Primary amines Carbonyl compounds Alkyl fluorides Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylether - 5-phenylpyrimidine - Diaryl ether - N-acyl-piperidine - Phenoxy compound - Phenol ether - Aminopyrimidine - Imidolactam - Pyrimidine - Piperidine - Acrylic acid or derivatives - Heteroaromatic compound - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Organic oxide - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Primary amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether 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

Cibles associées (humaines)

BTK Tclin Tyrosine-protein kinase BTK (0 Activities)

Discover Target: BTK

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

Foire aux questions

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 E610259. InChIKey OXOXFDSEGFLWLU-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.