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ChemicalBook--->CAS DataBase List--->859212-16-1

859212-16-1

859212-16-1 Structure

859212-16-1 Structure
IdentificationBack Directory
[Name]

Bafetinib
[CAS]

859212-16-1
[Synonyms]

Ns 187
CS-239
Inno 406
Inno-406
Unii-nvw4Z03I9b
Bafetinib (INNO-406)
INNO 406 - Bafetinib
Bafetinib(INNO 406,NS 187)
NS-187; BAFETINIB; INNO406
(S)-N-(3-([4,5'-bipyriMidin]-2-ylaMino)-4-Methylphenyl)-4-((3-(diMethylaMino)pyrrolidin-1-yl)Methyl)-3-(trifluoroMethyl)benzaMide
N-[3-([4,5'-BipyriMidin]-2-ylaMino)-4-Methylphenyl]-4-[[(3S)-3-(diMethylaMino)-1-pyrrolidinyl]Methyl]-3-(trifluoroMethyl)benzaMide
Benzamide, N-(3-((4,5'-bipyrimidin)-2-ylamino)-4-methylphenyl)-4-(((3S)-3-(dimethylamino)-1-pyrrolidinyl)methyl)-3-(trifluoromethyl)-
4-[[(3S)-3-Dimethylaminopyrrolidin-1-yl]methyl]-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
(S)-4-((3-(dimethylamino)pyrrolidin-1-yl)methyl)-N-(4-methyl-3-(4-(pyrimidin-5-yl)pyrimidin-2-ylamino)phenyl)-3-(trifluoromethyl)benzamide
Bafetinib N-[3-([4,5'-bipyrimidin]-2-ylamino)-4-methylphenyl]-4-[[(3S)-3-(dimethylamino)-1-pyrrolidinyl]methyl]-3-(trifluoromethyl)benzamide
[Molecular Formula]

C30H31F3N8O
[MDL Number]

MFCD18633200
[MOL File]

859212-16-1.mol
[Molecular Weight]

576.62
Chemical PropertiesBack Directory
[Melting point ]

166-168°C
[density ]

1.36±0.1 g/cm3(Predicted)
[storage temp. ]

Refrigerator
[solubility ]

DMSO:42.0(Max Conc. mg/mL);72.84(Max Conc. mM)
[form ]

A crystalline solid
[pka]

12.72±0.70(Predicted)
[color ]

Light yellow to yellow
Hazard InformationBack Directory
[Description]

Bcr-Abl, a fusion protein with deregulated tyrosine kinase activity, is highly expressed in chronic myelogenous leukemia (CML). Bafetinib is a rationally developed tyrosine kinase inhibitor based on the chemical structure of imatinib (Item No. 13139), with modifications added to improve binding and potency against Bcr-Abl kinase (IC50 = 5.8 nM). It is 25- to 55-fold more potent than imatinib in vitro and ≥10-fold more potent in vivo. Bafetinib inhibits 12 out of the 13 most frequent imatinib-resistant Bcr-Abl point mutations, but not the T315I mutation and also targets the Src family kinase Lyn (IC50 = 19 nM), which has been associated with resistance to imatinib in CML.
[Chemical Properties]

Pale Yellow Solid
[Uses]

A substituted benzamide derivative structurally related to STI-571 (Imatinib Mesylate). It was identified as highly potent Bcr-Abl kinase inhibitor.
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