Name: PR-104
Rating: 5 (10 reviews)

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HIT ID:HIT214321068
Cas No:851627-62-8
常用名:PR-104
IUPAC:[2-({2-[(2-bromoethyl)[2-(methanesulfonyloxy)ethyl]amino]-3,5-dinitrophenyl}formamido)ethoxy]phosphonic acid
IUPAC:[2-({2-[(2-bromoethyl)[2-(methanesulfonyloxy)ethyl]amino]-3,5-dinitrophenyl}formamido)ethoxy]phosphonic acid
InChI key:GZSOKPMDWVRVMG-UHFFFAOYSA-N

分子式:C14H20BrN4O12PS
分子量:579.27
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CS(=O)(=O)OCCN(CCBr)c1c(cc(cc1N(=O)=O)N(=O)=O)C(=O)NCCOP(O)(O)=O
SMILES:CS(=O)(=O)OCCN(CCBr)c1c(cc(cc1N(=O)=O)N(=O)=O)C(=O)NCCOP(O)(O)=O

PR-104 is a highly specific hypoxia-activated agent that cross-links DNA, enabling its application in various tumor xenograft models. Functioning as a pre-prodrug of nitrogen mustard, PR-104 undergoes efficient conversion to the dinitrobenzamide mustards alcohol form, known as PR-104A[1].

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