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Chemical structure of Bamirastine (TAK-427)

GC31840

Bamirastine (TAK-427)

Also known as 2-[6-[3-(4-benzhydryloxypiperidin-1-yl)propylamino]imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanoic acid

Bamirastine (TAK-427) inhibits ligand binding to recombinant human histamine H1 receptors (rhH1R) with an IC50 value of 17·3 nM

ChemicalCAS215529-47-8MW527.66FormulaC31H37N5O3
CAS number
215529-47-8
Molecular weight
527.66
Formula
C31H37N5O3
Solubility
Soluble in DMSO
InChIKey
WTBRUSNNZKWTMI-UHFFFAOYSA-N
Catalogue number
GC31840
Brand
GLPBIO
Computed properties PubChem CID 9806921 · XLogP 2.8 · TPSA 92 Ų · H-bond donors 2
XLogP
2.8
TPSA
92 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
39

SMILES CC(C)(C1=CN2C(=N1)C=CC(=N2)NCCCN3CCC(CC3)OC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O

Computed descriptors from PubChem (CID 9806921), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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