General
Preferred name
BI-2852
Synonyms
P&D ID
PD121798
CAS
2375482-51-0
Tags
available
free of charge
probe
Probe info
Probe type
experimental probe
Probe sources
High-quality chemical probes
opnMe Portal
Probe targets
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION BI-2852 is a potent inhibitor for use that directly targets GTP-bound KRAS, which is the major form present in cancer cells carrying KRAS mutations. BI-2852 binds to KRAS with a KD of 740 nM (ITC), inhibits GTP-KRAS binding to effectors like SOS1, CRAF and PI3Kα with an IC of 490, 770 and 500 nM. BI-2852 showed pERK(2h) modulation and antiproliferative effects in KRAS cells (NCI-H358) at 5.8 µM and 6.7 µM.Together with the structurally similar negative control BI-2853 which is also available via opnMe.com, the probe BI-2852 can serve as an excellent small molecule tool inhibitor of KRAS for testing biological hypotheses .
DESCRIPTION BI-2852 is a KRAS inhibitor for the switch I/II pocket (SI/II-pocket) by structure-based agent design with nanomolar affinity. BI-2852 is mechanistically distinct from covalent KRASG12C inhibitor (binds to switch II pocket) and binds ten-fold more strongly to active KRASG12D versus KRASwt (740 nM vs 7.5 ¦ÌM). BI-2852 blocks GEF, GAP, and effector interactions with KRAS, leading to inhibition of downstream signaling and an antiproliferative effect in KRAS mutant cells.
PRICE 438
DESCRIPTION BI-2852 is a KRAS inhibitor targeting the switch I/II pocket (SI/II-pocket) with nanomolar affinity, leading to inhibition of downstream signaling and an antiproliferative effect in KRAS mutant cells.
DESCRIPTION BI-2852 is a potent inhibitor for in vitro use that directly targets GTP-bound KRAS, which is the major form present in cancer cells carrying KRAS mutations. BI-2852 binds to KRASG12D with a KD of 740 nM (ITC), inhibits GTP-KRASG12D binding to effectors like SOS1, CRAF and PI3Kα with an IC50 of 490, 770 and 500 nM. BI-2852 showed pERK(2h) modulation and antiproliferative effects in KRASmut cells (NCI-H358) at 5.8 µM and 6.7 µM.5 Together with the structurally similar negative control BI-2853 which is also available via opnMe.com, the probe BI-2852 can serve as an excellent small molecule tool inhibitor of KRAS for testing biological hypotheses in vitro. Due to high demand, we have reduced for short time period the dose shipped from 5mg to 2.5mg per delivery. (opnMe Portal)
DESCRIPTION BI-2852 is a KRAS inhibitor. It blocks the interaction of GEF, GAP and effectors with KRAS, thereby inhibiting downstream signal transduction and producing anti-proliferative effects in KRAS mutant cells. (BOC Sciences Bioactive Compounds)
Cell lines
1
Organisms
0
Compound Sets
6
BOC Sciences Bioactive Compounds
bi-2852-cas-2375482-51-0-57827
CZ-OPENSCREEN Bioactive Library
High-quality chemical probes
PD121798
MedChem Express Bioactive Compound Library
HY-126247
opnMe Portal
kras-bi-2852
Selleckchem Bioactive Compound Library
bi-2852
External IDs
8
Properties
(calculated by RDKit )
Molecular Weight
516.23
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
4
Rotatable Bonds
7
Ring Count
7
Aromatic Ring Count
6
cLogP
4.73
TPSA
99.9
Fraction CSP3
0.16
Chiral centers
1.0
Largest ring
6.0
QED
0.25
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Ras
Kras
Pathway
GPCR/G protein
MAPK/ERK Pathway
Solubility
Soluble in DMSO
Source data