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Chemical structure of PR-104A

GC62490

PR-104A

Also known as 2-[N-(2-bromoethyl)-2-(2-hydroxyethylcarbamoyl)-4,6-dinitroanilino]ethyl methanesulfonate

PR-104A (SN 27858) is the alcohol metabolite of phosphate prodrug PR-104· PR-104A is a hypoxia-selective DNA cross-linking agent/DNA-damaging agent and cytotoxin· Antitumor Activity· PR-104A is metabolized under hypoxia by the 1-electron NADPH:cytochrome P450 oxidoreductase· PR-104A can be used for the research of relapsed/refractory T-lineage acute lymphoblastic leukemia (T-ALL)

ChemicalCAS680199-06-8MW499.29FormulaC14H19BrN4O9S
CAS number
680199-06-8
Molecular weight
499.29
Formula
C14H19BrN4O9S
InChIKey
AZICEEZSDKZDHX-UHFFFAOYSA-N
Catalogue number
GC62490
Brand
GLPBIO
Computed properties PubChem CID 9848786 · XLogP 0.5 · TPSA 196 Ų · H-bond donors 2
XLogP
0.5
TPSA
196 Ų
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
10
Heavy atoms
29

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

Computed descriptors from PubChem (CID 9848786), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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