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

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sdf 文件

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HIT ID:HIT218886909
Cas No:851627-80-0
常用名:PR-104 sodium
IUPAC:sodium 2-({2-[(2-bromoethyl)[2-(methanesulfonyloxy)ethyl]amino]-3,5-dinitrophenyl}formamido)ethyl hydrogen phosphate
IUPAC:sodium 2-({2-[(2-bromoethyl)[2-(methanesulfonyloxy)ethyl]amino]-3,5-dinitrophenyl}formamido)ethyl hydrogen phosphate
InChI key:ZHZRUSZTONWGGW-UHFFFAOYSA-M

分子式:C14H19BrN4NaO12PS
分子量:601.25
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na+].CS(=O)(=O)OCCN(CCBr)c1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)NCCOP(O)([O-])=O
SMILES:[Na+].CS(=O)(=O)OCCN(CCBr)c1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)NCCOP(O)([O-])=O

PR-104 sodium is a hypoxia-activated DNA cross-linking agent used in the research of tumor xenograft models. It functions as a nitrogen mustard pre-prodrug and efficiently transforms into the more lipophilic dinitrobenzamide mustards alcohol PR-104A.

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