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Flumatinib mesylate - 99%, high purity , CAS No.895519-91-2

COA

Grade & Purity:

≥99%

Cas Number: 895519-91-2
Molecular Weight: 658.7
PubChem CID: 46910592

In stock

Item Number

F648447

Grouped product items
SKU	Size	Availability	Price
F648447-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$170.90
F648447-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$270.90
F648447-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$550.90
F648447-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$870.90
F648447-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,380.90

View related series

Bcr-Abl (59) c-Kit (81) Non-receptor Tyrosine Kinase (643) PDGFR (109) Protein Tyrosine Kinase/RTK (1314) Receptor Tyrosine Kinase (1260)

Basic Description

Synonyms	MFCD28053502 \| DTXSID9026184 \| SCHEMBL4889246 \| EX-A2059 \| N-(6-methyl-5-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)pyridin-3-yl)-4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)benzamide mesylate \| N-methyl-N-nitrosouree \| Q27271825 \| 95Y8L63NBC \| DTXS
Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	Flumatinib (HHGV678) mesylate is an orally active and selective inhibitor of Bcr-Abl . Flumatinib mesylate inhibits c-Abl, PDGFRβ and c-Kit with IC 50 values of 1.2, 307.6 and 665.5 nM, respectively. Flumatinib mesylate inhibits Bcr-Abl autophosphorylati
Storage Temp	Store at 2-8°C,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Flumatinib (HHGV678) mesylate is an orally active and selective inhibitor of Bcr-Abl . Flumatinib mesylate inhibits c-Abl, PDGFRβ and c-Kit with IC 50 values of 1.2, 307.6 and 665.5 nM, respectively. Flumatinib mesylate inhibits Bcr-Abl autophosphorylation and Stat5 and Erk1/2 phosphorylation. Flumatinib mesylate inhibits tumor growth in chronic myelogenous leukemia model In Vitro Flumatinib mesylate (HH-GV-678) (0-1000 μM; 4, 7 and 10 days) blocks cellular Bcr-Abl autophosphorylation and Stat5 and Erk1/2 phosphorylation in K562 leukemia cells. Flumatinib mesylate (HH-GV-678) (0-10 μM; 72 hours) remarkably decreases the number of cells in chronic myelogenous leukemia cell lines. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Proliferation AssayCell Line: Chronic myelogenous leukemia cell line Concentration: 0-10 μM Incubation Time: 72 hours Result: The proliferation inhibitory activity was 32-to 58-fold more potent than that of imatinib and 2-to 5-fold more potent than that of nilotinib. Western Blot AnalysisCell Line: K562 cells Concentration: 0, 1, 3, 10, 30, 100, 300 and 1000 μM Incubation Time: 4, 7 and 10 days Result: Suppressed cellular Bcr-Abl autophosphorylation and Stat5 and Erk1/2 phosphorylation. In Vivo Flumatinib mesylate (HH-GV-678) (18-75 mg/kg; p.o.; Twice daily, for 14 days.) inhibits tumor growth in nude mice . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Nude mice (subcutaneously injecting K562 cells) Dosage: 18.75, 37.5, 75 mg/kg Administration: Oral administration; Twice daily, for 14 days. Result: Inhibited the growth of K562 xenografts in a dose-dependent manner and induced regression in all tumors at a daily dose of 75 mg/kg for nine days. Form:Solid IC50& Target:PDGFRβ 307.6 nM (IC 50 ) c-Abl 1.2 nM (IC 50 )

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrimidines and pyrimidine derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyridinylpyrimidines
Alternative Parents	Trifluoromethylbenzenes Benzamides Phenylmethylamines Benzoyl derivatives Benzylamines Aminopyridines and derivatives Aminopyrimidines and derivatives Aralkylamines Methylpyridines N-methylpiperazines Alkanesulfonic acids Sulfonyls Organosulfonic acids Heteroaromatic compounds Methanesulfonates Amino acids and derivatives Secondary carboxylic acid amides Trialkylamines Secondary amines Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Alkyl fluorides Organofluorides Organic oxides
Molecular Framework	Not available
Substituents	Pyridinylpyrimidine - Trifluoromethylbenzene - Benzamide - Benzoic acid or derivatives - Benzoyl - Benzylamine - Phenylmethylamine - Aminopyridine - Aminopyrimidine - Methylpyridine - N-methylpiperazine - N-alkylpiperazine - Aralkylamine - Benzenoid - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyridine - Alkanesulfonic acid - Sulfonyl - Methanesulfonate - Organosulfonic acid - Organosulfonic acid or derivatives - Heteroaromatic compound - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Secondary amine - Azacycle - Carboxylic acid derivative - Organosulfur compound - Alkyl halide - Amine - Organic oxide - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Alkyl fluoride - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyridinylpyrimidines. These are compounds containing a pyridinylpyrimidine skeleton, which consists of a pyridine linked (not fused) to a pyrimidine by a bond.
External Descriptors	Not available
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)

ABL1 Tclin Bcr/Abl fusion protein (1667 Activities)

Discover Target: ABL1

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

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	methanesulfonic acid;4-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridin-3-yl]-3-(trifluoromethyl)benzamide
INCHI	InChI=1S/C29H29F3N8O.CH4O3S/c1-19-26(38-28-34-9-7-25(37-28)21-4-3-8-33-16-21)15-23(17-35-19)36-27(41)20-5-6-22(24(14-20)29(30,31)32)18-40-12-10-39(2)11-13-40;1-5(2,3)4/h3-9,14-17H,10-13,18H2,1-2H3,(H,36,41)(H,34,37,38);1H3,(H,2,3,4)
InChIKey	ZSASDYCFROUKTJ-UHFFFAOYSA-N
Smiles	CC1=C(C=C(C=N1)NC(=O)C2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)NC4=NC=CC(=N4)C5=CN=CC=C5.CS(=O)(=O)O
Isomeric SMILES	CC1=C(C=C(C=N1)NC(=O)C2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)NC4=NC=CC(=N4)C5=CN=CC=C5.CS(=O)(=O)O
PubChem CID	46910592
Molecular Weight	658.7

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	H2O : 50 mg/mL (75.91 mM; Need ultrasonic) DMSO : 50 mg/mL (75.91 mM; Need ultrasonic)
Molecular Weight	658.700 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	7
Exact Mass	658.23 Da
Monoisotopic Mass	658.23 Da
Topological Polar Surface Area	162.000 Å²
Heavy Atom Count	46
Formal Charge	0
Complexity	934.000
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

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