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Bafetinib

Bafetinib structure

CAS No:
887650-05-7
Formula:
C30H31F3N8O
Chemical Name:
Bafetinib
Synonyms:
bafetinib;N-[3-([5,5'-Bipyrimidin]-2-ylamino)-4-methylphenyl]-4-[[(3S)-3-(dimethylamino)-1-pyrrolidinyl]methyl]-3-(trifluoromethyl)benzamide;(S)-N-(3-([5,5'-bipyriMidin]-2-ylaMino)-4-Methylphenyl)-4-((3-(diMethylaMino)pyrrolidin-1-yl)Methyl)-3-(trifluoroMethyl)benzaMide;Lyn-IN-1;Bafetinib, >=98%;(S)-N-(3-(5,5'-Bipyrimidin-2-ylamino)-4-methylphenyl)-4-((3-(dimethylamino)-pyrrolidin-1-yl)me
Categories:
Active Pharmaceutical Ingredients > Antineoplastic Agents

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Description

Lyn-IN-1 is a potent and selective dual Bcr-Abl/Lyn inhibitor, extracted from patent WO2014169128A1.

Bafetinib Basic Attributes

Molecular Weight：

576.62

Exact Mass：

576.257263

EC Number：

1312995-182-4

Characteristics

PSA：

99.2

XLogP3：

4.1

Density：

1.4±0.1 g/cm3

Refractive Index：

1.640

Bafetinib Use and Manufacturing

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

Computed Properties

Molecular Weight:576.6
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:8
Exact Mass:576.25729213
Monoisotopic Mass:576.25729213
Topological Polar Surface Area:99.2
Heavy Atom Count:42
Complexity:864
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Bafetinib(INNO-406)

CAS No.: 887650-05-7

Content: 0.98%

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