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BI-2852

CAT: 0013-GTR19206438-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206438-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BI-2852 is a potent, nanomolar-affinity small molecule inhibitor targeting the KRAS switch I/II pocket. It effectively blocks downstream signaling pathways and demonstrates antiproliferative activity in KRAS-mutant cell lines, making it a valuable tool for in vitro oncology research and signaling studies.
CAS Number
2375482-51-0
Product Name Alternative
Inhibitor, inhibit, KRAS G12C, BI2852, BI-2852, BI 2852, Ras
Field of Research
Pharmacology & Drug Discovery, Signal Transduction
Purity
97.77% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (3.87 mM) ; DMSO:55 mg/mL (106.47 mM)
Smiles
Cn1cnc (Cn2ccc3ccc (CNCc4[nH]c5ccccc5c4[C@H]4NC (=O) c5ccc (O) cc45) cc23) c1
Molecular Formula
C31H28N6O2
Molecular Weight
516.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(3S)-5-hydroxy-3-(2-(((1-((1-methylimidazol-4-yl)methyl)indol-6-yl)methylamino)methyl)-1H-indol-3-yl)-2,3-dihydroisoindol-1-one
CAS Number2375482-51-0
PubChem CID138756246
IUPAC Name(3S)-5-hydroxy-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1H-indol-3-yl]-2,3-dihydroisoindol-1-one
Molecular FormulaC31H28N6O2
Molecular Weight516.6
XLogP2.9
Topological Polar Surface Area99.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count39
Formal Charge0
Complexity874
SMILES
CN1C=C(N=C1)CN2C=CC3=C2C=C(C=C3)CNCC4=C(C5=CC=CC=C5N4)[C@@H]6C7=C(C=CC(=C7)O)C(=O)N6
InChI
InChI=1S/C31H28N6O2/c1-36-16-21(33-18-36)17-37-11-10-20-7-6-19(12-28(20)37)14-32-15-27-29(24-4-2-3-5-26(24)34-27)30-25-13-22(38)8-9-23(25)31(39)35-30/h2-13,16,18,30,32,34,38H,14-15,17H2,1H3,(H,35,39)/t30-/m0/s1
InChIKey
JYEQLXOWWLNVDX-PMERELPUSA-N
Chemical Structure
2D Structure
2D structure of (3S)-5-hydroxy-3-(2-(((1-((1-methylimidazol-4-yl)methyl)indol-6-yl)methylamino)methyl)-1H-indol-3-yl)-2,3-dihydroisoindol-1-one
CAS: 2375482-51-0
CID: 138756246
Formula: C31H28N6O2
MW: 516.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight516.6
XLogP32.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass516.22737416
Monoisotopic Mass516.22737416
Topological Polar Surface Area99.9 Ų
Heavy Atom Count39
Formal Charge0
Complexity874
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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