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Chemical structure of MAL-di-EG-Val-Cit-PAB-MMAE

GC34379

MAL-di-EG-Val-Cit-PAB-MMAE

Also known as [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate

MAL-di-EG-Val-Cit-PAB-MMAE consists the ADCs linker (MAL-di-EG-Val-Cit-PAB) and potent tubulin inhibitor (MMAE)

ChemicalCAS2746391-62-6MW1433.73FormulaC72H112N12O18
CAS number
2746391-62-6
Molecular weight
1433.73
Formula
C72H112N12O18
Solubility
Soluble in DMSO
InChIKey
KSUNEBGJOUXPPQ-NGASZDMPSA-N
Catalogue number
GC34379
Brand
GLPBIO
Computed properties PubChem CID 124201613 · XLogP 2.8 · TPSA 394 Ų · H-bond donors 9
XLogP
2.8
TPSA
394 Ų
H-bond donors
9
H-bond acceptors
18
Rotatable bonds
45
Heavy atoms
102

SMILES CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](C2=CC=CC=C2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)OCC3=CC=C(C=C3)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCOCCOCCNC(=O)CCN4C(=O)C=CC4=O

Computed descriptors from PubChem (CID 124201613), 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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Documents
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