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Chemical structure of DUPA(OtBu)-OH

GC33083

DUPA(OtBu)-OH

Also known as (4S)-4-[[(2S)-1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]carbamoylamino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

DUPA(OtBu)-OH is a DUPA precursor· DUPA is used as the targeting moiety to actively deliver Docetaxel (DTX) for treatment of Prostate-Specific Membrane Antigen (PSMA) expressing prostate cancer

ChemicalCAS1026987-94-9MW488.57FormulaC23H40N2O9
CAS number
1026987-94-9
Molecular weight
488.57
Formula
C23H40N2O9
Solubility
DMSO ： 125 mg/mL (255·85 mM)
InChIKey
KBDDHSXZOLZZGF-GJZGRUSLSA-N
Catalogue number
GC33083
Brand
GLPBIO
Computed properties PubChem CID 87285592 · XLogP 2.3 · TPSA 157 Ų · H-bond donors 3
XLogP
2.3
TPSA
157 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
16
Heavy atoms
34

SMILES CC(C)(C)OC(=O)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)N[C@@H](CCC(=O)O)C(=O)OC(C)(C)C

Computed descriptors from PubChem (CID 87285592), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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