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Chemical structure of Eeyarestatin I

GC13855

Eeyarestatin I

Also known as 2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[3-(5-nitrofuran-2-yl)prop-2-enylideneamino]acetamide

Eeyarestatin I, a potent endoplasmic reticulum-associated protein degradation (ERAD) inhibitor, is a potent protein translocation inhibitor· It disturbs endoplasmic reticulum (ER) homeostasis and has anticancer activities resembling that of Bortezomib· Eeyarestatin I inhibits Sec61 translocon

ChemicalCAS412960-54-4MW630.44FormulaC27H25Cl2N7O7
CAS number
412960-54-4
Molecular weight
630.44
Formula
C27H25Cl2N7O7
Solubility
30mg/mL in DMSO or DMF
InChIKey
JTUXTPWYZXWOIB-UHFFFAOYSA-N
Catalogue number
GC13855
Brand
GLPBIO
Computed properties PubChem CID 5003929 · XLogP 4.2 · TPSA 177 Ų · H-bond donors 3
XLogP
4.2
TPSA
177 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
43

SMILES CC1(C(N(C(=O)N1CC(=O)NN=CC=CC2=CC=C(O2)[N+](=O)[O-])C3=CC=C(C=C3)Cl)N(C(=O)NC4=CC=C(C=C4)Cl)O)C

Computed descriptors from PubChem (CID 5003929), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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