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Bafetinib | Inhibitor of ABL1, LYN
RATINGS:
Cellular Use: (4 reviews)

In Model Organisms: (4 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary

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Targets Biochemical/Biophysical Potency Cellular Potency
ABL1
  • IC 50:5.8 nM
  • IC 50:11 nM
LYN
  • IC 50:19 nM
  • IC 50:22 nM
10 nM - 1 uM

Selectivity

In Vitro Selectivity Assessment

Potency: IC 50 - 19 nM

Potency Assay Off-Target:
Kinase Profiler assay
Selectivity Assessment Description:
79 kinases tested at 0.1 uM, Bafetinib inhibited ABL, ARG, FYN, and LYN; at 1.0 uM, Bafetinib inhibi ...
In Cell Selectivity Assessment
Selectivity Assessment Description:
The activity was detected in cells on PDGFR and KIT, but not EGFR.

Potency
Cellular
In Vitro

ABL1

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1182/blood-2005-06-2209

LYN

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1182/blood-2005-06-2209

In Vivo Validations

Mouse
Dose: 30 mg/kg
Route of delivery: Oral
Plasma half life: 1 h
Organ of interest (O): xenograft

DOI Reference: 10.1182/blood-2005-06-2209

Orthogonal Probes def

GNF-5
ASCIMINIB
IMATINIB

Chemical Information

Molecular Formula C30H31F3N8O
SMILEs Cc1ccc(NC(=O)c2ccc(CN3CC[C@H](N(C)C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1
InChI InChI=1S/C30H31F3N8O/c1-19-4-7-23(13-27(19)39-29-36-10-8-26(38-29)22-14-34-18-35-15-22)37-28(42)20-5-6-21(25(12-20)30(31,32)33)16-41-11-9-24(17-41)40(2)3/h4-8,10,12-15,18,24H,9,11,16-17H2,1-3H3,(H,37,42)(H,36,38,39)/t24-/m0/s1
Molecular weight 576.26 Da
AlogP 5.392620000000004
HBond acceptors 9
HBond donors 2
Atoms 73

Vendors

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Expert Reviews

by SERP
(on 12 Jun 2016)
Cellular Use Rating
In Model Organisms
If using bafetinib (INNO-406) as a probe, it is highly recommended to consult the publication by U. Rix et al (Leukemia 2010, 24, 44–50). They've exhaustively profiled it through unbiased chemical proteomics...
by SERP
(on 14 Jun 2016)
Cellular Use Rating
In Model Organisms
This probe is similar to imatinib and was designed to inhibit mutant ABL kinases that are resistant to imatinib. This probe was intended to inhibit LYN kinase. Overexpression of LYN is usually associated...
by SERP
(on 16 Jun 2016)
Cellular Use Rating
In Model Organisms
There are better compounds to study ABL in cells and animal models (e.g., GNF-2 and GNF-5). I do not recommend using bafetinib as a probe for ABL.
by SERP
(on 6 Jul 2016)
Cellular Use Rating
In Model Organisms
Bafetinib is a more selective probe compound than imatinib (see Kimura, S. et al, Blood, 2005, 106, 3948-3954) based on cellular and non-cellular kinase inhibition selectivity data. Additionally, bafetinib...
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