D3768

Dequalinium chloride hydrate

≥95% (titration)

• Synonym(s): 1,1′-Decamethylenebis(4-aminoquinaldinium) dichloride hydrate
• Empirical Formula (Hill Notation): C₃₀H₄₀Cl₂N₄ · xH₂O
• CAS Number: 1255077-34-9
• Molecular Weight: 527.57 (anhydrous basis)
• UNSPSC Code: 12352200
• PubChem Substance ID: 24278367
• EC Number: 208-330-9
• MDL number: MFCD10567439
• Assay: ≥95% (titration)
• Form: powder

Properties

• assay: ≥95% (titration)
• form: powder
• mp: ≥300 °C (lit.)
• SMILES string: O.[Cl-].[Cl-].Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]3c(C)cc(N)c4ccccc34
• InChI: 1S/C30H38N4.2ClH.H2O/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34;;;/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3;2*1H;1H2
• InChI key: CZCJAGQJOXJBST-UHFFFAOYSA-N

Description

Biochem/physiol Actions

Dequalinium chloride is a selective blocker of apamin-sensitive K⁺ channels and inhibitor of XIAP (X-linked inhibitor of apoptosis protein). Has been shown to induce cytotoxicity in human acute promyelocytic leukemia NB4 cells through disturbance of mitochondrial function, oxidative stress, and downregulation of Raf/MEK/ERK and PI3K/Akt signaling pathways.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk: WGK 3
• ppe: dust mask type N95 (US), Eyeshields, Gloves