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Chemical structure of MKC8866 (IRE-1α inhibitor 1)

GC32889

MKC8866 (IRE-1α inhibitor 1)

Also known as 7-hydroxy-6-methoxy-4-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-2-oxochromene-8-carbaldehyde

MKC8866 (IRE-1α inhibitor 1), a salicylaldehyde analog, is a potent, selective IRE1 RNase inhibitor with an IC50 of 0·29μM in human vitro· MKC8866 (IRE-1α inhibitor 1) strongly inhibits Dithiothreitol-induced X-box-binding protein 1-spliced (XBP1s) expression with an EC50 of 0·52μM and unstresses RPMI 8226 cells with an IC50 of 0·14μM· MKC8866 (IRE-1α inhibitor 1) inhibits IRE1 RNase in breast cancer cells leading to the decreased production of pro-tumorigenic factors and it can inhibits prostate cancer (PCa) tumor growth

ChemicalCAS1338934-59-0MW361.35FormulaC18H19NO7
CAS number
1338934-59-0
Molecular weight
361.35
Formula
C18H19NO7
Solubility
DMSO : 16·67 mg/mL (46·13 mM)
InChIKey
IFDGMRMUJYGWQQ-UHFFFAOYSA-N
Catalogue number
GC32889
Brand
GLPBIO
Computed properties PubChem CID 89542346 · XLogP 0.5 · TPSA 102 Ų · H-bond donors 1
XLogP
0.5
TPSA
102 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
26

SMILES CC1=C(C(=O)OC2=C(C(=C(C=C12)OC)O)C=O)CC(=O)N3CCOCC3

Computed descriptors from PubChem (CID 89542346), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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