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Chemical structure of Val-Ala-PABC-Exatecan trifluoroacetate

GC73123

Val-Ala-PABC-Exatecan trifluoroacetate

Also known as [4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methyl N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamate;2,2,2-trifluoroacetic acid

Val-Ala-PABC-Exatecan trifluoroacetate is a Drug-Linker Conjugates for ADC, consiting of a cleavable Tesirine linker (Val-Ala-PABC) and Exatecan (topoisomerase I inhibitor, )

ChemicalCAS2928571-45-1MW868.83FormulaC42H44F4N6O10
CAS number
2928571-45-1
Molecular weight
868.83
Formula
C42H44F4N6O10
Solubility
DMSO ： 50 mg/mL (57·55 mM; Need ultrasonic)
InChIKey
BEGBTWTZTSSNHK-TYUAWROFSA-N
Catalogue number
GC73123
Brand
GLPBIO
Computed properties PubChem CID 169494470 · TPSA 240 Ų · H-bond donors 6 · H-bond acceptors 16
TPSA
240 Ų
H-bond donors
6
H-bond acceptors
16
Rotatable bonds
10
Heavy atoms
62

SMILES CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)OCC7=CC=C(C=C7)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)N)O.C(=O)(C(F)(F)F)O

Computed descriptors from PubChem (CID 169494470), 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
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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