Dovitinib (TKI-258, CHIR-258) - Moligand™, ≥99% , Inhibitor of colony stimulating factor 1 receptor;Inhibitor of epidermal growth factor receptor;Inhibitor of fibroblast growth factor receptor 1;Inhibitor of fibroblast growth factor receptor 3;Inhibitor o, Inhibitor of colony stimulating factor 1 receptor;Inhibitor of epidermal growth factor receptor;Inhibitor of fibroblast growth factor receptor 1;Inhibitor of fibroblast growth factor receptor 3;Inhibitor of fms related receptor tyrosine kinase 1;Inhibitor

CAS: 405169-16-6 Cat. No.: D126778 Molecular Weight: 392.43

GRADE & PURITY Moligand™, ≥99%

Synonyms

CHIR-258 | C75053 | D77370 | BDBM153731 | GFKI-258 | MFCD10565680 | NCGC00249685-11 | TK-258 | AC-32059 | B2693-091881 | Dovitinib | Q27163255 | SCHEMBL32934 | 1447274-99-8 | 4-AMINO-5-FLUORO-3-[ 5- (4-METHYLPIPERAZIN-1-YL)-1H-BENZIMIDAZOL-2-YL]QUINOLIN-2

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Dovitinib (TKI258, CHIR258) is a multitargeted RTK inhibitor, mostly for class III (FLT3/c-Kit) with IC50 of 1 nM/2 nM, also potent to class IV (FGFR1/3) and class V (VEGFR1-4) RTKs with IC50 of 8-13 nM, less potent to InsR, EGFR, c-Met, EphA2, Tie2, IGF-1R and HER2.
The free base form of an FGFR inhibitor

Specifications

Synonyms

CHIR-258 | C75053 | D77370 | BDBM153731 | GFKI-258 | MFCD10565680 | NCGC00249685-11 | TK-258 | AC-32059 | B2693-091881 | Dovitinib | Q27163255 | SCHEMBL32934 | 1447274-99-8 | 4-AMINO-5-FLUORO-3-[ 5- (4-METHYLPIPERAZIN-1-YL)-1H-BENZIMIDAZOL-2-YL]QUINOLIN-2

Specifications & Purity

Moligand™, ≥99%

Biochemical and Physiological Mechanisms

Dovitinib, Free Base, is the non-salt form of dovitinib, lactate salt (sc-396753). Dovitinib is a multitargeted growth factor receptor kinase inhibitor to VEGFR, FGFR3, PDGFR and c-KIT.Potent, selective inhibitor of class III-V receptor tyrosine kinases (

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.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of colony stimulating factor 1 receptor;Inhibitor of epidermal growth factor receptor;Inhibitor of fibroblast growth factor receptor 1;Inhibitor of fibroblast growth factor receptor 3;Inhibitor of fms related receptor tyrosine kinase 1;Inhibitor

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504773224
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773224
• Canonical Smiles: CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N
• IUPAC Name: 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
• InChIKey: PIQCTGMSNWUMAF-UHFFFAOYSA-N
• INCHI: 1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29)
• Isomeric SMILES: CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N
• Molecular Weight: 392.43
• Reaxy-Rn: 10305639
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10305639&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylpiperazines
• Alternative Parents: 4-aminoquinolines Haloquinolines Hydroquinolones Hydroquinolines Benzimidazoles Dialkylarylamines Aminopyridines and derivatives N-methylpiperazines Pyridinones Aryl fluorides Benzenoids Vinylogous amides Imidazoles Heteroaromatic compounds Trialkylamines Lactams Azacyclic compounds Organofluorides Organooxygen compounds Organic oxides Hydrocarbon derivatives Primary amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylpiperazine - Aminoquinoline - 4-aminoquinoline - Haloquinoline - Dihydroquinolone - Dihydroquinoline - Quinoline - Benzimidazole - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aminopyridine - Pyridinone - N-methylpiperazine - N-alkylpiperazine - Benzenoid - Aryl fluoride - Aryl halide - Pyridine - Vinylogous amide - Heteroaromatic compound - Azole - Imidazole - Tertiary aliphatic amine - Tertiary amine - Lactam - Azacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary amine - Amine - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
• 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

Associated Targets(Human)

EGFR Tclin Epidermal growth factor receptor (1 Activities)

Discover Target: EGFR

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

CSF1R Tclin Macrophage colony-stimulating factor 1 receptor (2 Activities)

Discover Target: CSF1R

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

RET Tclin Proto-oncogene tyrosine-protein kinase receptor Ret (4 Activities)

Discover Target: RET

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

MST1R Tchem Macrophage-stimulating protein receptor (1 Activities)

Discover Target: MST1R

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

FLT4 Tclin Vascular endothelial growth factor receptor 3 (3 Activities)

Discover Target: FLT4

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

YES1 Tclin Tyrosine-protein kinase Yes (1 Activities)

Discover Target: YES1

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

FLT3 Tclin Receptor-type tyrosine-protein kinase FLT3 (17 Activities)

Discover Target: FLT3

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

FGFR1 Tclin Fibroblast growth factor receptor 1 (3 Activities)

Discover Target: FGFR1

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

FGFR3 Tclin Fibroblast growth factor receptor 3 (3 Activities)

Discover Target: FGFR3

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

CAMK1G Tchem Calcium/calmodulin-dependent protein kinase type 1G (1 Activities)

Discover Target: CAMK1G

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

TNIK Tchem TRAF2 and NCK-interacting protein kinase (5 Activities)

Discover Target: TNIK

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

PDGFRA Tclin Platelet-derived growth factor receptor alpha (1 Activities)

Discover Target: PDGFRA

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

PDGFRB Tclin Platelet-derived growth factor receptor beta (5 Activities)

Discover Target: PDGFRB

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

MINK1 Tchem Misshapen-like kinase 1 (2 Activities)

Discover Target: MINK1

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

MAP3K19 Tchem Mitogen-activated protein kinase kinase kinase 19 (1 Activities)

Discover Target: MAP3K19

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

LCK Tclin Tyrosine-protein kinase Lck (1 Activities)

Discover Target: LCK

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

MAP4K4 Tchem Mitogen-activated protein kinase kinase kinase kinase 4 (1 Activities)

Discover Target: MAP4K4

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

BLK Tchem Tyrosine-protein kinase Blk (1 Activities)

Discover Target: BLK

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

Tchem Uncharacterized protein FLJ45252 (1 Activities)

Explore this target

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

FLT1 Tclin Vascular endothelial growth factor receptor 1 (2 Activities)

Discover Target: FLT1

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

KDR Tclin Vascular endothelial growth factor receptor 2 (3 Activities)

Discover Target: KDR

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

KIT Tclin Mast/stem cell growth factor receptor Kit (14 Activities)

Discover Target: KIT

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

INSR Tclin Insulin receptor (1 Activities)

Discover Target: INSR

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

MYLK3 Tchem Myosin light chain kinase 3 (1 Activities)

Discover Target: MYLK3

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

Chemical and Physical Properties

• Solubility: DMSO:34 mg/mL,Insoluble in water and Ethanol
• Molecular Weight: 392.400 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 392.176 Da
• Monoisotopic Mass: 392.176 Da
• Topological Polar Surface Area: 90.300 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 678.000
• 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: 1