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Chemical structure of 4-Br-Bnlm

GC68547

4-Br-Bnlm

Also known as methyl 2-[2-[1-[(4-bromophenyl)methyl]imidazol-2-yl]ethyl]-3-chloro-4,6-dihydroxybenzoate

4-Br-Bnlm is a selective inhibitor of glucose-regulated protein 94 (Grp94), with an EC50 value of 0·96 μM· It reduces the level of misfolded mutant and wild-type cardiac proteins in cells· 4-Br-Bnlm promotes the clearance of toxic cardiotoxins, reducing cardiac toxicity

ChemicalCAS1654775-71-9MW465.72FormulaC20H18BrClN2O4
CAS number
1654775-71-9
Molecular weight
465.72
Formula
C20H18BrClN2O4
Solubility
DMSO ： 33·33 mg/mL (71·57 mM; Need ultrasonic)
InChIKey
FHDUIAYTJZAXNW-UHFFFAOYSA-N
Catalogue number
GC68547
Brand
GLPBIO
Computed properties PubChem CID 127049159 · XLogP 4.9 · TPSA 84.6 Ų · H-bond donors 2
XLogP
4.9
TPSA
84.6 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
28

SMILES COC(=O)C1=C(C(=C(C=C1O)O)Cl)CCC2=NC=CN2CC3=CC=C(C=C3)Br

Computed descriptors from PubChem (CID 127049159), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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