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Chemical structure of Agitoxin 2

GC14867

Agitoxin 2

Also known as (2S)-6-amino-2-[[(2S)-1-[(2S,3R)-2-[[(1R,4S,7R,12R,15S,18S,21S,27S,30S,33S,39S,42R,47R,50S,56S,62S,65S,68R,75S,78S,81S,84S,89S,92S,98S)-47-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-15,39,75,92-tetrakis(4-aminobutyl)-81-(2-amino-2-oxoethyl)-65-(3-amino-3-oxopropyl)-33-benzyl-89-[(2S)-butan-2-yl]-30,78-bis(3-carbamimidamidopropyl)-18-(carboxymethyl)-50-[(1R)-1-hydroxyethyl]-56-(hydroxymethyl)-4-(1H-imidazol-4-ylmethyl)-21-methyl-27,84-bis(2-methylsulfanylethyl)-2,5,13,16,19,22,25,28,31,34,37,40,48,51,54,57,63,66,74,77,80,83,86,87,90,93,99-heptacosaoxo-9,10,44,45,70,71-hexathia-a,3,6,14,17,20,23,26,29,32,35,38,41,49,52,55,58,64,67,73,76,79,82,85,88,91,94-heptacosazapentacyclo[40.30.14.1412,68.058,62.094,98]hectane-7-carbonyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid

Shaker K+ channel blocker, potent

ChemicalCAS168147-41-9MW4090.87FormulaC169H278N54O48S8
CAS number
168147-41-9
Molecular weight
4090.87
Formula
C169H278N54O48S8
Solubility
Soluble to 1 mg/ml in Water
InChIKey
MNSSWZUIQUJZTG-OFZOPSLBSA-N
Catalogue number
GC14867
Brand
GLPBIO
Computed properties PubChem CID 146018903 · XLogP -18.2 · TPSA 1840 Ų · H-bond donors 55
XLogP
-18.2
TPSA
1840 Ų
H-bond donors
55
H-bond acceptors
65
Rotatable bonds
78
Heavy atoms
279

SMILES CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]4CSSC[C@@H](C(=O)N1)NC(=O)[C@@H](NC(=O)[C@@H]5CCCN5C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4)CCCCN)CCCNC(=N)N)CC(=O)N)CCSC)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC3=O)CCCCN)CC(=O)O)C)CCSC)CCCNC(=N)N)CC6=CC=CC=C6)CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]7CCCN7C(=O)[C@H](C(C)C)NC(=O)CN)[C@@H](C)O)CO)CCC(=O)N)CC8=CNC=N8)C(=O)N[C@@H]([C@@H](C)O)C(=O)N9CCC[C@H]9C(=O)N[C@@H](CCCCN)C(=O)O)CCCCN

Computed descriptors from PubChem (CID 146018903), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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