lenvatinib Mesylate - ≥99% , Vascular endothelial growth factor receptor inhibitor, CAS No.857890-39-2, Vascular endothelial growth factor receptor inhibitor

CAS: 857890-39-2 Cat. No.: M304782 Molecular Weight: 522.96 EC Number: 812-398-0 PubChem CID: 11237762

GRADE & PURITY ≥99%

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 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

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

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

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 2-8°C, Protected from light, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Mechanism of action

Vascular endothelial growth factor receptor inhibitor

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504766197
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766197
• Canonical Smiles: 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)
• Isomeric SMILES: COC1=CC2=NC=CC(=C2C=C1C(=O)N)OC3=CC(=C(C=C3)NC(=O)NC4CC4)Cl.CS(=O)(=O)O
• Alternate CAS: 857890-39-2
• PubChem CID: 11237762
• MeSH Entry Terms: 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
• Molecular Weight: 522.96

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive；Moisture sensitive
• Molecular Weight: 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