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Chemical structure of Val-Ala-PAB-MMAE

GC73411

Val-Ala-PAB-MMAE

Also known as [4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]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

Val-Ala-PAB-MMAE is a Drug-Linker Conjugate for ADC, consisting of ADC linker (Val-Ala-PAB) and MMAE

ChemicalCAS1912408-92-4MW1037.33FormulaC55H88N8O11
CAS number
1912408-92-4
Molecular weight
1037.33
Formula
C55H88N8O11
Solubility
DMSO ： 100 mg/mL (96·40 mM; Need ultrasonic)
InChIKey
MTXKKTCVANNYBH-AXWSPWQFSA-N
Catalogue number
GC73411
Brand
GLPBIO
Computed properties PubChem CID 130364135 · XLogP 5.3 · TPSA 251 Ų · H-bond donors 6
XLogP
5.3
TPSA
251 Ų
H-bond donors
6
H-bond acceptors
12
Rotatable bonds
28
Heavy atoms
74

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](C)NC(=O)[C@H](C(C)C)N

Computed descriptors from PubChem (CID 130364135), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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