Cabozantinib malate (XL184) - ≥99% , Hepatocyte growth factor receptor inhibitor, CAS No.1140909-48-3, Hepatocyte growth factor receptor inhibitor

CAS: 1140909-48-3 Cat. No.: C129757 Molecular Weight: 635.59 EC Number: 691-711-0 PubChem CID: 25102846

GRADE & PURITY ≥99%

Synonyms

D10095 | XL184(Cabozantinib malate) | BMS907351 | N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (2S)-2-hydroxybutanedioate | EX-A2819 | CABOZANTINIB MALATE [JAN] | 1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphe

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Cabozantinib malate is the malate of Cabozantinib, a potent VEGFR2 inhibitor with IC50 of 0.035 nM and also inhibits c-Met, Ret, Kit, Flt-1/3/4, Tie2, and AXL with IC50 of 1.3 nM, 4 nM, 4.6 nM, 12 nM/11.3 nM/6 nM, 14.3 nM and 7 nM, respectively

Specifications

Synonyms

D10095 | XL184(Cabozantinib malate) | BMS907351 | N-{4-[(6, 7-dimethoxyquinolin-4-yl)oxy]phenyl}-N'-(4-fluorophenyl)cyclopropane-1, 1-dicarboxamide (2S)-2-hydroxybutanedioate | EX-A2819 | CABOZANTINIB MALATE [JAN] | 1-N-[4-(6, 7-dimethoxyquinolin-4-yl)oxyphe

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Cabozantinib S malate (XL184 BMS 907351) is a potent VEGFR2 inhibitor with IC50 of 0 035 nM and also inhibits c-Met, Ret, Kit, Flt-1/3/4, Tie2, and AXL with IC50 of 1.3 nM, 4 nM, 4.6 nM, 12 nM/11.3 nM/6 nM, 14.3 nM and 7 nM, respectively

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

INHIBITOR

Mechanism of action

Hepatocyte growth factor receptor inhibitor

Purity

≥99%

Names and Identifiers

• Canonical Smiles: COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F.C(C(C(=O)O)O)C(=O)O
• IUPAC Name: 1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;(2S)-2-hydroxybutanedioic acid
• InChIKey: HFCFMRYTXDINDK-WNQIDUERSA-N
• INCHI: 1S/C28H24FN3O5.C4H6O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18;5-2(4(8)9)1-3(6)7/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34);2,5H,1H2,(H,6,7)(H,8,9)/t;2-/m.0/s1
• Isomeric SMILES: COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F.C([C@@H](C(=O)O)O)C(=O)O
• PubChem CID: 25102846
• Molecular Weight: 635.59

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylethers
• Alternative Parents: Quinolines and derivatives Anilides Anisoles N-arylamides Phenoxy compounds Alkyl aryl ethers Short-chain hydroxy acids and derivatives Beta hydroxy acids and derivatives Fluorobenzenes Fatty acids and conjugates Dicarboxylic acids and derivatives Cyclopropanecarboxylic acids and derivatives Alpha hydroxy acids and derivatives Aryl fluorides Pyridines and derivatives Heteroaromatic compounds Secondary alcohols Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Organopnictogen compounds
• Molecular Framework: Not available
• Substituents: Diaryl ether - Quinoline - Anilide - Phenoxy compound - Anisole - Phenol ether - N-arylamide - Alkyl aryl ether - Fluorobenzene - Halobenzene - Beta-hydroxy acid - Short-chain hydroxy acid - Alpha-hydroxy acid - Dicarboxylic acid or derivatives - Aryl fluoride - Hydroxy acid - Benzenoid - Monocyclic benzene moiety - Pyridine - Fatty acid - Aryl halide - Cyclopropanecarboxylic acid or derivatives - Heteroaromatic compound - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Carbonyl group - Organonitrogen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organofluoride - Organopnictogen compound - Organic oxide - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
• External Descriptors: malate 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

Associated Targets(Human)

MET Tclin Hepatocyte growth factor receptor (2 Activities)

Discover Target: MET

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

KDR Tclin Vascular endothelial growth factor receptor 2 (1 Activities)

Discover Target: KDR

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

KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)

Discover Target: KDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MET Tclin Hepatocyte growth factor receptor (10718 Activities)

Discover Target: MET

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SNU-5 (270 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A549 (127892 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NCI-H460 (60772 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HUVEC (11049 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO 127 mg/mL Water <1 mg/mL Ethanol <1 mg/mL
• Molecular Weight: 635.600 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 11
• Exact Mass: 635.192 Da
• Monoisotopic Mass: 635.192 Da
• Topological Polar Surface Area: 194.000 Ų
• Heavy Atom Count: 46
• Formal Charge: 0
• Complexity: 924.000
• 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: 2

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