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Chemical structure of SOD1-Derlin-1 inhibitor-1

GC69920

SOD1-Derlin-1 inhibitor-1

Also known as 3-amino-N-(2,4-dibromophenyl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide

SOD1-Derlin-1 inhibitor-1 (compound 56-20) is an inhibitor of the interaction between SOD1 and Derlin-1· It inhibits the complex formation between SOD1G93A and Derlin-1 with an IC50 value of 7·11 μM· SOD1-Derlin-1 inhibitor-1 can be used for research on amyotrophic lateral sclerosis

ChemicalCAS840461-03-2MW504.2FormulaC19H12Br2N4OS
CAS number
840461-03-2
Molecular weight
504.2
Formula
C19H12Br2N4OS
Solubility
DMSO : 2·7 mg/mL (5·36 mM; ultrasonic and warming and adjust pH to 4 with HCl and heat to 60°C)
InChIKey
WBPMNEHAAMMXEO-UHFFFAOYSA-N
Catalogue number
GC69920
Brand
GLPBIO
Computed properties PubChem CID 1885718 · XLogP 5.2 · TPSA 109 Ų · H-bond donors 2
XLogP
5.2
TPSA
109 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
27

SMILES C1=CC(=CN=C1)C2=NC3=C(C=C2)C(=C(S3)C(=O)NC4=C(C=C(C=C4)Br)Br)N

Computed descriptors from PubChem (CID 1885718), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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