Description
Muscotoxin A is an ADC cytotoxin. Muscotoxin A is a cytotoxic lipopeptide that permeabilizes mammalian cell membranes and induces necrotic cell death.
IUPAC Name
3-[(6R,13S,19R,22S,25Z,28S,31R,34S,37S)-34-benzyl-19,31-bis[(2S)-butan-2-yl]-25-ethylidene-9-hydroxy-10-(2-hydroxyheptyl)-22,28-bis(hydroxymethyl)-2,5,8,12,18,21,24,27,30,33,36-undecaoxo-1,4,7,11,17,20,23,26,29,32,35-undecazatricyclo[35.3.0.013,17]tetracontan-6-yl]propanamide
Canonical SMILES
O=C(N1CCC[C@]1(C(NC(CC(CCCCC)O)C(O)C(N[C@H](CCC(N)=O)C(NCC(N2CCC[C@]2(C(N[C@H]3CC4=CC=CC=C4)=O)[H])=O)=O)=O)=O)[H])[C@@]([H])([C@H](CC)C)NC([C@H](CO)NC(/C(NC([C@H](CO)NC([C@@]([H])([C@H](CC)C)NC3=O)=O)=O)=C/C)=O)=O
InChI
InChI=1S/C58H90N12O16/c1-7-11-13-20-35(73)28-38-48(76)57(85)62-37(23-24-44(59)74)49(77)60-29-45(75)69-25-16-21-42(69)54(82)64-39(27-34-18-14-12-15-19-34)51(79)67-46(32(5)8-2)56(84)66-40(30-71)52(80)61-36(10-4)50(78)65-41(31-72)53(81)68-47(33(6)9-3)58(86)70-26-17-22-43(70)55(83)63-38/h10,12,14-15,18-19,32-33,35,37-43,46-48,71-73,76H,7-9,11,13,16-17,20-31H2,1-6H3,(H2,59,74)(H,60,77)(H,61,80)(H,62,85)(H,63,83)(H,64,82)(H,65,78)(H,66,84)(H,67,79)(H,68,81)/b36-10-/t32-,33-,35?,37+,38?,39-,40-,41-,42-,43-,46+,47+,48?/m0/s1
InChIKey
WYLYXGBHDIWORI-BSACXQMXSA-N
In Vitro
Muscotoxin A (0-13.2 μM ; 24 hours) is cytotoxic to YAC-1, Sp/2, and HeLa cancer cell lines (LC50) ranged from 9.9 to 13.2 μM, causing membrane damage and influx of calcium ions.
Shelf Life
0-4℃ for short term (days to weeks), or -20℃ for long term (months).
Shipping
Room temperature, or blue ice upon request.
Storage
Store at -5°C,keep in dry and avoid sunlight.
