CAS: 851627-62-8 - PR 104

Formula: C₁₄H₂₀BrN₄O₁₂PS

InChI: InChI=1S/C14H20BrN4O12PS/c1-33(28,29)31-7-5-17(4-2-15)13-11(14(20)16-3-6-30-32(25,26)27)8-10(18(21)22)9-12(13)19(23)24/h8-9H,2-7H2,1H3,(H,16,20)(H2,25,26,27)

InChI key: InChIKey=GZSOKPMDWVRVMG-UHFFFAOYSA-N

SMILES: O=C(NCCOP(=O)(O)O)C=1C=C(C=C(C1N(CCBr)CCOS(=O)(=O)C)N(=O)=O)N(=O)=O

Synonyms:

• 2-((2-Bromoethyl)(2,4-dinitro-6-((2-(phosphonooxy)ethyl)carbamoyl)phenyl)amino)ethyl methanesulfonate
• PR 104
• 2-[(2-Bromoethyl)[2-[(methylsulfonyl)oxy]ethyl]amino]-3,5-dinitro-N-[2-(phosphonooxy)ethyl]benzamide
• 2-[N-(2-Bromoethyl)-2,4-dinitro-6-[[[2-(phosphonooxy)ethyl]amino]carbonyl]anilino]ethyl methanesulfonate
• Benzamide, 2-[(2-bromoethyl)[2-[(methylsulfonyl)oxy]ethyl]amino]-3,5-dinitro-N-[2-(phosphonooxy)ethyl]-

PR-104

CAS: 851627-62-8

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• Formula: C₁₄H₂₀BrN₄O₁₂PS
• Purity: Min. 95%
• Molecular weight: 579.27 g/mol

PR-104

CAS: 851627-62-8

PR-104: hypoxia-activated DNA cross-linker, pre-prodrug for nitrogen mustard, converts to PR-104A in tumors.

• Formula: C₁₄H₂₀BrN₄O₁₂PS
• Color and Shape: Solid
• Molecular weight: 579.27