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Chemical structure of Mal-C6-α-Amanitin

GC64309

Mal-C6-α-Amanitin

Also known as N-[6-[[(1R,4S,8R,10S,13S,16S,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl]-6-(2,5-dioxopyrrol-1-yl)hexanamide

Mal-C6-α-Amanitin is a drug-linker conjugate for ADC with potent antitumor activity by using α-Amanitin (an RNA polymerase II inhibitor), linked via the ADC linker Mal-C6

ChemicalCAS1578249-76-9MW1211.34FormulaC55H78N12O17S
CAS number
1578249-76-9
Molecular weight
1211.34
Formula
C55H78N12O17S
InChIKey
AZOYRQMJVHMVBB-HSXFGRQBSA-N
Catalogue number
GC64309
Brand
GLPBIO
Computed properties PubChem CID 145712368 · XLogP -3.1 · TPSA 456 Ų · H-bond donors 13
XLogP
-3.1
TPSA
456 Ų
H-bond donors
13
H-bond acceptors
18
Rotatable bonds
21
Heavy atoms
85

SMILES CC[C@H](C)[C@H]1C(=O)NCC(=O)N[C@H]2CS(=O)C3=C(C[C@@H](C(=O)NCC(=O)N1)NC(=O)[C@@H](NC(=O)[C@@H]4C[C@H](CN4C(=O)[C@@H](NC2=O)CC(=O)N)O)[C@@H](C)[C@H](CO)O)C5=C(N3)C=C(C=C5)OCCCCCCNC(=O)CCCCCN6C(=O)C=CC6=O

Computed descriptors from PubChem (CID 145712368), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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