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Chemical structure of DX3-235

GC26831

DX3-235

Also known as [(3R)-1-(4-pentan-3-ylsulfonylphenyl)sulfonylpiperidin-3-yl]-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone

DX3-235 is an oxidative phosphorylation (OXPHOS) inhibitor with nanomolar-level inhibitory effects on mitochondrial complex I function in galactose-containing media, resulting in reduced ATP production, leading to impaired cellular energy metabolism and cancer cytotoxicity

ChemicalCAS2749555-39-1MW581.75FormulaC26H39N5O6S2
CAS number
2749555-39-1
Molecular weight
581.75
Formula
C26H39N5O6S2
InChIKey
UFKYDDBMWHWQPP-HXUWFJFHSA-N
Catalogue number
GC26831
Brand
GLPBIO
Computed properties PubChem CID 162365453 · XLogP 3.4 · TPSA 151 Ų · H-bond donors 0
XLogP
3.4
TPSA
151 Ų
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
9
Heavy atoms
39

SMILES CCC(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H](C2)C(=O)N3CCN(CC3)C4=NC(=NO4)C(C)C

Computed descriptors from PubChem (CID 162365453), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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