elzovantinib - Moligand™, ≥98% , Inhibitor of colony stimulating factor 1 receptor;Inhibitor of MET proto-oncogene; receptor tyrosine kinase;Inhibitor of SRC proto-oncogene; non-receptor tyrosine kinase, CAS No.2271119-26-5, Inhibitor of colony stimulating factor 1 receptor;Inhibitor of MET proto-oncogene; receptor tyrosine kinase;Inhibitor of SRC proto-oncogene; non-receptor tyrosine kinase

CAS: 2271119-26-5 Cat. No.: E610109 Formule: C₂₀H₂₀FN₇O₂ Poids moléculaire: 409.42 PubChem CID: 137455315

GRADE & PURITY Moligand™, ≥98%

Synonyms

CSF1R-IN-2 | TPX-0022

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Elzovantinib (TPX-0022) is an oral-active inhibitor of SRC, MET and c-FMS, with IC50 values of 0.12 nM, 0.14 nM and 0.76 nM for SRC, MET and c-FMS respectively.

Specifications

Synonymes

CSF1R-IN-2 | TPX-0022

Spécifications et pureté

Moligand™, ≥98%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

Mécanisme d'action

Inhibitor of colony stimulating factor 1 receptor;Inhibitor of MET proto-oncogene; receptor tyrosine kinase;Inhibitor of SRC proto-oncogene; non-receptor tyrosine kinase

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 528768670
• Sourires canoniques: CCN1CC2=C(C=CC(=C2C#N)F)OC(CNC(=O)C3=C4N=C1C=CN4N=C3N)C
• IUPAC Name: (11S)-16-amino-2-ethyl-6-fluoro-11-methyl-14-oxo-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene-5-carbonitrile
• InChIKey: UUDPUQDMSHQSKH-NSHDSACASA-N
• INCHI: 1S/C20H20FN7O2/c1-3-27-10-13-12(8-22)14(21)4-5-15(13)30-11(2)9-24-20(29)17-18(23)26-28-7-6-16(27)25-19(17)28/h4-7,11H,3,9-10H2,1-2H3,(H2,23,26)(H,24,29)/t11-/m0/s1
• Isomères SMILES: CCN1CC2=C(C=CC(=C2C#N)F)O[C@H](CNC(=O)C3=C4N=C1C=CN4N=C3N)C
• CAS alternatif: 2271119-26-5
• PubChem CID: 137455315
• Poids moléculaire: 409.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyrazolopyrimidines
      • Subclass Pyrazolo[1,5-a]pyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyrazolopyrimidines
• Subclass: Pyrazolo[1,5-a]pyrimidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolo[1,5-a]pyrimidines
• Alternative Parents: Pyrazole-4-carboxamides Dialkylarylamines Aralkylamines Alkyl aryl ethers Imidolactams Hydropyrimidines Benzenoids Vinylogous amides Heteroaromatic compounds Lactams Amino acids and derivatives Amidrazones Vinyl fluorides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Nitriles Hydrazones Fluoroalkenes Carboximidamides Azacyclic compounds Amidines Primary amines Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrazolo[1,5-a]pyrimidine - Pyrazole-4-carboxamide - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aralkylamine - Alkyl aryl ether - Imidolactam - Benzenoid - Pyrimidine - 1,2-dihydropyrimidine - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Pyrazole - Azole - Tertiary amine - Lactam - Carboxamide group - Amino acid or derivatives - Carboxylic acid amidrazone - Oxacycle - Azacycle - Fluoroalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Vinyl halide - Vinyl fluoride - Nitrile - Carbonitrile - Hydrazone - Ether - Carboxylic acid derivative - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrazolo[1,5-a]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to and sharing exactly one nitrogen atom with a pyrimidine ring.
• 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)

CSF1R Tclin Macrophage colony-stimulating factor 1 receptor (0 Activities)

Discover Target: CSF1R

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

SRC Tclin Proto-oncogene tyrosine-protein kinase Src (0 Activities)

Discover Target: SRC

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

MET Tclin Hepatocyte growth factor receptor (0 Activities)

Discover Target: MET

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

Propriétés chimiques et physiques

• Solubilité: DMSO: 25 mg/mL (61.06 mM), sonification is recommended.
• Poids moléculaire: 409.400 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 409.166 Da
• Monoisotopic Mass: 409.166 Da
• Topological Polar Surface Area: 122.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 687.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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