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Chemical structure of Epinecidin-1

GA21427

Epinecidin-1

Also known as (2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]propanoyl]amino]acetyl]amino]-N-[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]hexanamide

Epinecidin-1 is an antimicrobial peptide with antitumor and antiviral activity· It corresponds to positions 22-42 of the grouper (Epinephelus coioides) epinecidin-1 and shows structural homology to pleurocidin found in the winter flounder (Pleuronectes americanus)· The synthetic peptide Epinecidin-1 has the potential to serve as a therapeutic drug for use against bacterial infectious diseases

ChemicalCAS1131706-77-8MW2334.91FormulaC114H176N30O21S
CAS number
1131706-77-8
Molecular weight
2334.91
Formula
C114H176N30O21S
Solubility
Soluble in DMSO
InChIKey
IJMVGIBIGDBVLY-FIFJRYGNSA-N
Catalogue number
GA21427
Brand
GLPBIO
Computed properties PubChem CID 71312054 · XLogP 5.1 · TPSA 814 Ų · H-bond donors 27
XLogP
5.1
TPSA
814 Ų
H-bond donors
27
H-bond acceptors
28
Rotatable bonds
77
Heavy atoms
166

SMILES CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CNC=N1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC4=CNC=N4)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)CN

Computed descriptors from PubChem (CID 71312054), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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