pirotinib - Moligand™ , Inhibitor of epidermal growth factor receptor;Inhibitor of erb-b2 receptor tyrosine kinase 2;Inhibitor of erb-b2 receptor tyrosine kinase 4, CAS No.P612848, Inhibitor of epidermal growth factor receptor;Inhibitor of erb-b2 receptor tyrosine kinase 2;Inhibitor of erb-b2 receptor tyrosine kinase 4

CAS: P612848 Cat. No.: P612848 PubChem CID: 56933206

GRADE & PURITY Moligand™

Synonyms

BDBM333466 | M8R6ETA52F | pirotinib | 2-Propenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-7-((7-methyl-7-azaspiro(3.5)non-2-yl)methoxy)-6-quinazolinyl)- | N-(4-((3-Chloro-4-fluorophenyl)amino)-7-((7-methyl-7-azaspiro[3.5]nonan-2-yl)methoxy)quinazolin-6-y

Storage

Room temperature

Specifications

Synonyme

BDBM333466 | M8R6ETA52F | pirotinib | 2-Propenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-7-((7-methyl-7-azaspiro(3.5)non-2-yl)methoxy)-6-quinazolinyl)- | N-(4-((3-Chloro-4-fluorophenyl)amino)-7-((7-methyl-7-azaspiro[3.5]nonan-2-yl)methoxy)quinazolin-6-y

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Inhibitor of epidermal growth factor receptor;Inhibitor of erb-b2 receptor tyrosine kinase 2;Inhibitor of erb-b2 receptor tyrosine kinase 4

Namen und Kennungen

• Kanonisches Lächeln: CN1CCC2(CC1)CC(C2)COC3=C(C=C4C(=C3)N=CN=C4NC5=CC(=C(C=C5)F)Cl)NC(=O)C=C
• IUPAC Name: N-[4-(3-chloro-4-fluoroanilino)-7-[(7-methyl-7-azaspiro[3.5]nonan-2-yl)methoxy]quinazolin-6-yl]prop-2-enamide
• InChIKey: KJBZQIKLKWQVLL-UHFFFAOYSA-N
• INCHI: 1S/C27H29ClFN5O2/c1-3-25(35)33-23-11-19-22(30-16-31-26(19)32-18-4-5-21(29)20(28)10-18)12-24(23)36-15-17-13-27(14-17)6-8-34(2)9-7-27/h3-5,10-12,16-17H,1,6-9,13-15H2,2H3,(H,33,35)(H,30,31,32)
• Isomere SMILES: CN1CCC2(CC1)CC(C2)COC3=C(C=C4C(=C3)N=CN=C4NC5=CC(=C(C=C5)F)Cl)NC(=O)C=C
• PubChem CID: 56933206

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazanaphthalenes
      • Subclass Benzodiazines
        • Ebene5 Quinazolines
          • Ebene6 Quinazolinamines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Quinazolines
• Direct Parent: Quinazolinamines
• Alternative Parents: Aniline and substituted anilines Phenol ethers N-arylamides Alkyl aryl ethers Aminopyrimidines and derivatives Chlorobenzenes Fluorobenzenes Piperidines Aryl chlorides Aryl fluorides Imidolactams Acrylic acids and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Trialkylamines Azacyclic compounds Secondary amines Organic oxides Carbonyl compounds Organochlorides Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazolinamine - Phenol ether - Aniline or substituted anilines - N-arylamide - Alkyl aryl ether - Aminopyrimidine - Halobenzene - Fluorobenzene - Chlorobenzene - Piperidine - Pyrimidine - Benzenoid - Imidolactam - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl chloride - Acrylic acid or derivatives - Heteroaromatic compound - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Secondary amine - Ether - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine 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)

ERBB4 Tclin Receptor tyrosine-protein kinase erbB-4 (0 Activities)

Discover Target: ERBB4

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

ERBB2 Tclin Receptor tyrosine-protein kinase erbB-2 (0 Activities)

Discover Target: ERBB2

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

EGFR Tclin Epidermal growth factor receptor (0 Activities)

Discover Target: EGFR

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

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 P612848. InChIKey KJBZQIKLKWQVLL-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.