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Chemical structure of Guangxitoxin 1E

GC50231

Guangxitoxin 1E

Also known as 1-[2-[[1-[2-[[4-amino-4-oxo-2-[[13,42,57,89-tetrakis(4-aminobutyl)-75-[[2-[[2-[(2-amino-4-carboxybutanoyl)amino]acetyl]amino]-4-carboxybutanoyl]amino]-66-benzyl-4,48-bis(hydroxymethyl)-92-[(4-hydroxyphenyl)methyl]-16,60,63-tris(1H-indol-3-ylmethyl)-33-methyl-22-(2-methylpropyl)-2,3a,5,11,14,17,20,23,32,35,41,44,47,50,53,56,59,62,65,68,71,74,81,87,90,93,96-heptacosaoxo-95-propan-2-yl-a,27,28,77,78,99-hexathia-2a,3,6,12,15,18,21,24,31,34,40,43,46,49,52,55,58,61,64,67,70,73,82,88,91,94,97-heptacosazahexacyclo[52.43.4.230,80.06,10.036,40.082,86]trihectane-25-carbonyl]amino]butanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxylic acid

Potent Kv2·1 and Kv2·2 channel blocker

ChemicalCAS1233152-82-3MW3948.61FormulaC178H248N44O45S7
CAS number
1233152-82-3
Molecular weight
3948.61
Formula
C178H248N44O45S7
Solubility
H2O ： ≥ 1 mg/mL (0·25 mM)
InChIKey
SZVUKNYCMKWHNH-UHFFFAOYSA-N
Catalogue number
GC50231
Brand
GLPBIO
Computed properties PubChem CID 121513878 · XLogP -10.1 · TPSA 1540 Ų · H-bond donors 45
XLogP
-10.1
TPSA
1540 Ų
H-bond donors
45
H-bond acceptors
57
Rotatable bonds
59
Heavy atoms
274

SMILES CC1C(=O)NC2CSSCC(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C3CCCN3C(=O)C(NC(=O)C4CSSCC(C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)N5CCCC5C(=O)N1)CCCCN)CO)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)CNC(=O)C(CSSCC(C(=O)N6CCCC6C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N4)C(C)C)CC7=CC=C(C=C7)O)CCCCN)NC2=O)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(CCC(=O)O)N)CC8=CC=CC=C8)CC9=CNC1=CC=CC=C19)CC1=CNC2=CC=CC=C21)CCCCN)CO)CCCCN)CC1=CNC2=CC=CC=C21)CC(C)C)C(=O)NC(CC(=O)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)NC(CCSC)C(=O)N1CCCC1C(=O)O

Computed descriptors from PubChem (CID 121513878), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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