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RBN-2397 | RBN-2397 : NAD+ competitive of PARP7
RATINGS:
Cellular Use: (1 reviews)

In Model Organisms: (1 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
TIPARP
  • IC50:<3 nM
  • Kd:0.22 nM
  • IC50:1 nM
  • IC50:2 nM
  • Activity:100 nM
NAD+ competitive
up to 100 nM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
Selectivity within target family: >50-fold selectivity for inhibition of PARP7 over all PARP family ...
In Cell Selectivity Assessment
Potency Assay Off-Target:
RBN-2397 inhibits MARylation of multiple intracellular proteins in PARP7-overexpressing SK-MES-1 cel ...

Potency
Cellular
In Vitro

TIPARP

Mode of Action: NAD+ competitive

Structure-Activity-Relationship data available? No

DOI Reference: 10.1016/j.ccell.2021.06.018

In Vivo Validations

Mouse
Dose: 3, 10, 30, 300 mg/Kg
Route of delivery: Oral
Cmax: 408, 1605, 6390, 19880 ng/mL
Tmax: 2, 2, 2, 8 h
Area Under the Curve:: 4017, 14169, 85784, 275645 hr*ng/mL

DOI Reference: 10.1016/j.ccell.2021.06.018

Negative Control Compounds

RBN250036
Notes: RBN250036 (cpd 77) is not active in the PARP family
SMILES: C[C@H](Nc(cnn1C)c(C(F)(F)F)c1=O)COCCC(N2CCN(CC2)c3ncc(C(F)(F)F)cn3)=O

Chemical Information

Molecular Formula C20H23F6N7O3
SMILEs C[C@@H](COCCC(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1)Nc1cn[nH]c(=O)c1C(F)(F)F
InChI InChI=1S/C20H23F6N7O3/c1-12(30-14-10-29-31-17(35)16(14)20(24,25)26)11-36-7-2-15(34)32-3-5-33(6-4-32)18-27-8-13(9-28-18)19(21,22)23/h8-10,12H,2-7,11H2,1H3,(H2,30,31,35)/t12-/m0/s1
Molecular weight 523.18 Da
AlogP 0.0
HBond acceptors 10
HBond donors 2
Atoms 59

References

Publications

Cross References

canSARChEMBLBindingDBPDB

Vendors

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Expert Reviews

by SERP
(on 28 Oct 2022 )
Cellular Use Rating
In Model Organisms
RBN-2397 is a highly selective PARP7 inhibitor against other PARPs and has been shown to have in vivo pharmacological activity with oral administration. I believe RBN-2397 is one of the best probes for...
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