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Chemical structure of Brilacidin tetrahydrochloride

GC60096

Brilacidin tetrahydrochloride

Also known as 4-N,6-N-bis[3-[5-(diaminomethylideneamino)pentanoylamino]-2-[(3R)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide;tetrahydrochloride

Brilacidin tetrahydrochloride (PMX-30063) is a synthetic, nonpeptidic, small-molecule mimetic of Host Defense Proteins/Peptides (HDPs)

ChemicalCAS1224095-99-1MW1082.75FormulaC40H54Cl4F6N14O6
CAS number
1224095-99-1
Molecular weight
1082.75
Formula
C40H54Cl4F6N14O6
Solubility
DMSO： 83·33 mg/mL (76·96 mM)
InChIKey
QTHBCQCKYVOFDR-PIJQHSLXSA-N
Catalogue number
GC60096
Brand
GLPBIO
Computed properties PubChem CID 45275360 · TPSA 314 Ų · H-bond donors 14 · H-bond acceptors 18
TPSA
314 Ų
H-bond donors
14
H-bond acceptors
18
Rotatable bonds
20
Heavy atoms
70

SMILES C1CNC[C@@H]1OC2=C(C=C(C=C2NC(=O)C3=CC(=NC=N3)C(=O)NC4=CC(=CC(=C4O[C@@H]5CCNC5)NC(=O)CCCCN=C(N)N)C(F)(F)F)C(F)(F)F)NC(=O)CCCCN=C(N)N.Cl.Cl.Cl.Cl

Computed descriptors from PubChem (CID 45275360), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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