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NI-42 | Antagonist of BRPF1, BRD1, BRPF3
RATINGS:
Cellular Use: (3 reviews)

In Model Organisms: (2 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
BRPF1
  • Kd:40 nM
  • IC 50:7.9 nM
  • IC 50:140 nM
BRD1
  • Kd:210 nM
  • IC 50:48 nM
  • IC 50:760 nM
BRPF3
  • Kd:940 nM
  • IC 50:260 nM
  • IC 50:2000 nM
Antagonist
1-10 uM

Selectivity

In Vitro Selectivity Assessment
BRD7

Gene ID: Q9NPI1

Organism: Homo sapiens

Family:

Potency: IC 50 - 82 nM

Potency Assay Off-Target:
NI-42 was screened in Bromoscan assay and with differential scanning fluorimetry (DSF) against a pan ...
Selectivity Assessment Description:
NI-42 was tested for activity against 8 ion channels (Eurofins CardiacProfile: Nav1.5, Kv4.3/KChIP2, ...

Potency
Cellular
In Vitro

BRPF1

Mode of Action: Antagonist

Structure-Activity-Relationship data available? No

DOI Reference: 10.1021/acs.jmedchem.6b01583

BRD1

Mode of Action: Antagonist

Structure-Activity-Relationship data available? No

DOI Reference: 10.1021/acs.jmedchem.6b01583

BRPF3

Mode of Action: Antagonist

Structure-Activity-Relationship data available? No

DOI Reference: 10.1021/acs.jmedchem.6b01583

In Vivo Validations

Mouse
Dose: 3 mg/kg (oral), 1 mg/kg (IV)
Route of delivery: Oral, IV
Plasma half life: 2.0 h (IV)
Systemic clearance: 4 mL/min/kg (IV)

DOI Reference: 10.1021/acs.jmedchem.6b01583

Negative Control Compounds

NI-198

Orthogonal Probes def

OF-1
PFI-4
GSK6853

Chemical Information

Molecular Formula C18H15N3O3S
SMILEs [C-]#[N+]c1ccc(S(=O)(=O)Nc2ccc3c(c2)cc(C)c(=O)n3C)cc1
InChI InChI=1S/C18H15N3O3S/c1-12-10-13-11-15(6-9-17(13)21(3)18(12)22)20-25(23,24)16-7-4-14(19-2)5-8-16/h4-11,20H,1,3H3
Molecular weight 353.08 Da
AlogP 3.1985100000000015
HBond acceptors 6
HBond donors 1
Atoms 40

References

Publications

Cross References

canSAR

Vendors

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Expert Reviews

by SERP
(on 28 Mar 2017 )
Cellular Use Rating
The chemical probe NI-57, which is closely related to NI-42, inhibits BRPF1, BRD1, BRPF3 and is the preferred probe for these targets. Although NI-57 is not yet published, it is commercially available....
by SERP
(on 28 Mar 2017 )
Cellular Use Rating
In Model Organisms
NI-42 is a moderately potent BRPF1 inhibitor (exact potency unclear as it is assay format dependent, but presuming ITC is preferred format, KD ~40 nM) with moderate selectivity: ~6X selectivity over...
by SERP
(on 24 Jul 2017 )
Cellular Use Rating
In Model Organisms
As other SAB members have pointed out, it is difficult to obtain a clear view on the suitability of this probe for cellular work. Different biochemical IC50s are cited and whilst target engagement is...
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