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Chemical structure of PR-104

GC63154

PR-104

Also known as 2-[N-(2-bromoethyl)-2,4-dinitro-6-(2-phosphonooxyethylcarbamoyl)anilino]ethyl methanesulfonate

PR-104 is a selective hypoxia-activated DNA cross-linking agent and can be used for the research of multiple tumor xenograft models· PR-104, as a nitrogen mustard pre-prodrug, is converted efficiently to the more lipophilic dinitrobenzamide mustards alcohol PR-104A

ChemicalCAS851627-62-8MW579.27FormulaC14H20BrN4O12PS
CAS number
851627-62-8
Molecular weight
579.27
Formula
C14H20BrN4O12PS
InChIKey
GZSOKPMDWVRVMG-UHFFFAOYSA-N
Catalogue number
GC63154
Brand
GLPBIO
Computed properties PubChem CID 11455973 · XLogP -0.6 · TPSA 242 Ų · H-bond donors 3
XLogP
-0.6
TPSA
242 Ų
H-bond donors
3
H-bond acceptors
13
Rotatable bonds
12
Heavy atoms
33

SMILES CS(=O)(=O)OCCN(CCBr)C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NCCOP(=O)(O)O

Computed descriptors from PubChem (CID 11455973), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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