lenvatinib Mesylate - 10mM in DMSO , Vascular endothelial growth factor receptor inhibitor, CAS No.857890-39-2, Vascular endothelial growth factor receptor inhibitor

CAS: 857890-39-2 Cat. No.: L426388 Summenformel: C₂₁H₁₉N₄O₄Cl.CH₄O₃S Molekulargewicht: 522.96 EG-Nummer: 812-398-0 PubChem CID: 11237762

GRADE & PURITY 10mM in DMSO

Synonyms

DTXCID90157572 | CCG-269873 | 3-(2-aminoethyl) pyridine | AC-30100 | BCP11858 | DS-19245 | SB16581 | 6-carbamoyl-4-(3-chloro-4-((cyclopropylcarbamoyl)amino)phenoxy)-7-methoxyquinolin-1-ium methanesulfonate | 4-[3-Chloro-4-[[(cyclopropylamino)carbonyl]amin

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyme

DTXCID90157572 | CCG-269873 | 3-(2-aminoethyl) pyridine | AC-30100 | BCP11858 | DS-19245 | SB16581 | 6-carbamoyl-4-(3-chloro-4-((cyclopropylcarbamoyl)amino)phenoxy)-7-methoxyquinolin-1-ium methanesulfonate | 4-[3-Chloro-4-[[(cyclopropylamino)carbonyl]amin

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

Lenvatinib (E7080) is an orally active inhibitor against multiple receptor tyrosine kinases, including VEGFR (Flt-1/KDR/Flt-4 IC50 = 22/4.0/5.2 nM), PDGFR1/2 (IC50 = 39/51 nM), FGFR1 and KIT (IC50 = 46 and 100 nM, respectively) that inhibits angiogenesis

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

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

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Vascular endothelial growth factor receptor inhibitor

Namen und Kennungen

Pubchem Sid

528765376

Kanonisches Lächeln

COC1=CC2=NC=CC(=C2C=C1C(=O)N)OC3=CC(=C(C=C3)NC(=O)NC4CC4)Cl.CS(=O)(=O)O

IUPAC Name

4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxamide;methanesulfonic acid

InChIKey

HWLFIUUAYLEFCT-UHFFFAOYSA-N

INCHI

1S/C21H19ClN4O4.CH4O3S/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11;1-5(2,3)4/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28);1H3,(H,2,3,4)

Isomere SMILES

COC1=CC2=NC=CC(=C2C=C1C(=O)N)OC3=CC(=C(C=C3)NC(=O)NC4CC4)Cl.CS(=O)(=O)O

Alternative CAS-Nummer

857890-39-2

PubChem CID

11237762

MeSH-Eintrag

4-(3-chloro-4-(((cyclopropylamino)carbonyl)amino)phenoxy)-7-hydroxy-6-quinolinecarboxamide;4-(3-chloro-4-((cyclopropylaminocarbonyl)amino)phenoxy)-7-methoxy-6-quinolinecarboxamide;4-(3-chloro-4-(N'-cyclopropylureido)phenoxy)-7-methoxyquinoline-6-carboxami

Molekulargewicht

522.96

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Quinolines and derivatives
      • Subclass Quinoline carboxamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Quinolines and derivatives
• Subclass: Quinoline carboxamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoline carboxamides
• Alternative Parents: Diarylethers N-phenylureas Phenoxy compounds Anisoles Alkyl aryl ethers Chlorobenzenes Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Ureas Primary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Not available
• Substituents: Quinoline-6-carboxamide - Diaryl ether - N-phenylurea - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Carboxamide group - Primary carboxylic acid amide - Carbonic acid derivative - Urea - Azacycle - Carboxylic acid derivative - Ether - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as quinoline carboxamides. These are quinolines in which the quinoline ring system is substituted by one or more carboxamide groups.
• External Descriptors: methanesulfonate salt

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 523.000 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 522.098 Da
• Monoisotopic Mass: 522.098 Da
• Topological Polar Surface Area: 178.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 727.000
• 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: 2

XLogP3