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BI-3406 | BI-3406 : Inhibitor of SOS1
RATINGS:
Cellular Use: (3 reviews)

In Model Organisms: (3 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary

Targets Biochemical/Biophysical Potency Cellular Potency
SOS1
  • IC50:5 nM
  • Kd:9.7 nM
  • IC50:28 nM
  • IC50:31.9 nM
Inhibitor
up to 1 uM

Selectivity

In Cell Selectivity Assessment
Selectivity Assessment Description:
RAS-GTP levels was significantly more pronounced in NCI-H358 cells harboring a SOS2 knockout when co ...
In Vitro Selectivity Assessment
Selectivity Assessment Description:
BI-3406 was shown to be selective versus SOS2 (IC50 > 10µ M), selective in a panel of 368 kinases (n ...

Potency
Cellular
In Vitro

SOS1

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1158/2159-8290.CD-20-0142

In Vivo Validations

Mouse
Dose:
Route of delivery: Intravenous, Oral
Plasma half life: 0.5 h
Systemic clearance: 61% QH
Cmax: 85 nM
Tmax: 0.8 h
Bioavailability: 100%
Volume of Distribution at Steady-State: 1.7 L/Kg

DOI Reference: 10.1158/2159-8290.CD-20-0142

Rat
Dose:
Route of delivery: Intravenous, Oral
Plasma half life: 2.6 h
Systemic clearance: 16% QH
Cmax: 237 nM
Tmax: 3.3 h
Bioavailability: 100%
Volume of Distribution at Steady-State: 1.7 L/Kg

DOI Reference: 10.1158/2159-8290.CD-20-0142

Negative Control Compounds

BI-0178
SMILES: COC1=CC2=C(NC3(CC3)C4=CC=CC=C4)N=C(C)N=C2C=C1OC

Orthogonal Probes def

BAY-293

Chemical Information

Molecular Formula C23H25F3N4O3
SMILEs COc1cc2nc(C)nc(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3)c2cc1O[C@H]1CCOC1
InChI InChI=1S/C23H25F3N4O3/c1-12(14-6-15(23(24,25)26)8-16(27)7-14)28-22-18-9-21(33-17-4-5-32-11-17)20(31-3)10-19(18)29-13(2)30-22/h6-10,12,17H,4-5,11,27H2,1-3H3,(H,28,29,30)/t12-,17+/m1/s1
Molecular weight 462.19 Da
AlogP 4.888620000000003
HBond acceptors 7
HBond donors 3
Atoms 58

Vendors

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Expert Reviews

by SERP
(on 13 Nov 2023 )
Cellular Use Rating
In Model Organisms
KRAS remains an elusive target in cancer. Directly targeting KRAS proteins is particularly difficult due to the intrinsic molecular characteristics of KRAS proteins, i.e., the lack of small-molecule binding...
by SERP
(on 19 Nov 2023 )
Cellular Use Rating
In Model Organisms
This probe has been studied with a rather rigorous series of control experiments, including single point mutations that block binding to SOS1. This probe has also been explored in a kinase panel and for...
by SERP
(on 7 Dec 2023 )
Cellular Use Rating
In Model Organisms
BI-3406 has been extensively characterized to bind to the catalytic domain of SOS1 (as demonstrated by numerous biophysical, including X-ray crystallography, biochemical, and cellular assays), thereby...
Note: The Chemical Probes Portal only endorses compounds as chemical probes for use as specific and selective modulators of the proposed target if they receive three or more (3-4) stars. Read more about our evaluation criteria