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Chemical structure of MN58b

GC38406

MN58b

Also known as 1-[[4-[4-[4-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]phenyl]butyl]phenyl]methyl]-N,N-dimethylpyridin-1-ium-4-amine dibromide

MN58b is a selective choline kinase α (CHKα) inhibitor, and results in inhibition of phosphocholine synthesis· MN58b reduces cell growth through the induction of apoptosis, and also has antitumoral activity

ChemicalCAS203192-01-2MW640.49FormulaC32H40Br2N4
CAS number
203192-01-2
Molecular weight
640.49
Formula
C32H40Br2N4
Solubility
DMSO： 14·71 mg/mL (22·97 mM)
InChIKey
YLHINOUDZGYMNO-UHFFFAOYSA-L
Catalogue number
GC38406
Brand
GLPBIO
Computed properties PubChem CID 52952144 · TPSA 14.2 Ų · H-bond donors 0 · H-bond acceptors 4
TPSA
14.2 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
11
Heavy atoms
38

SMILES CN(C)C1=CC=[N+](C=C1)CC2=CC=C(C=C2)CCCCC3=CC=C(C=C3)C[N+]4=CC=C(C=C4)N(C)C.[Br-].[Br-]

Computed descriptors from PubChem (CID 52952144), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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