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    Rrx 001

    DEVELOPMENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Rrx-001, 925206-65-1, 2-bromo-1-(3,3-dinitroazetidin-1-yl)ethan-1-one, Abdnaz, Radiosensitizer rrx-001, 7rpw6su9sc
    Molecular Formula
    C5H6BrN3O5
    Molecular Weight
    268.02  g/mol
    InChI Key
    JODKFOVZURLVTG-UHFFFAOYSA-N
    FDA UNII
    7RPW6SU9SC
    Radiosensitizer RRx-001 is a dinitroazetidine derivative with potential radiosensitizing activity. Upon administration, RRx-001 is able to dilate blood vessels, thereby increasing tumor blood flow and thus improving oxygenation to the tumor site. By increasing oxygen levels, these tumor cells may be more susceptible to radiation therapy. Tumor hypoxia is correlated with tumor aggressiveness, metastasis and resistance to radiotherapy.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-bromo-1-(3,3-dinitroazetidin-1-yl)ethanone
    2.1.2 InChI
    InChI=1S/C5H6BrN3O5/c6-1-4(10)7-2-5(3-7,8(11)12)9(13)14/h1-3H2
    2.1.3 InChI Key
    JODKFOVZURLVTG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1C(CN1C(=O)CBr)([N+](=O)[O-])[N+](=O)[O-]
    2.2 Other Identifiers
    2.2.1 UNII
    7RPW6SU9SC
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 14c-rrx-001

    2. Rrx-001

    2.3.2 Depositor-Supplied Synonyms

    1. Rrx-001

    2. 925206-65-1

    3. 2-bromo-1-(3,3-dinitroazetidin-1-yl)ethan-1-one

    4. Abdnaz

    5. Radiosensitizer Rrx-001

    6. 7rpw6su9sc

    7. Ethanone, 2-bromo-1-(3,3-dinitro-1-azetidinyl)-

    8. Unii-7rpw6su9sc

    9. Rrx 001

    10. Rrx001

    11. Schembl2249018

    12. Chembl3526802

    13. Rrx 001 [who-dd]

    14. 1-bromoacetyl-3,3-dinitroazetidine

    15. Bcp19228

    16. Ex-a2006

    17. Mfcd25976849

    18. S8405

    19. Zinc34805177

    20. N-(bromoacetyl)-3,3-dinitroazetidine

    21. Akos037644389

    22. Ccg-267126

    23. Cs-5286

    24. Db12060

    25. Ac-32908

    26. As-53015

    27. Br164811

    28. Hy-16438

    29. P15978

    30. Q27268765

    2.4 Create Date
    2007-03-07
    3 Chemical and Physical Properties
    Molecular Weight 268.02 g/mol
    Molecular Formula C5H6BrN3O5
    XLogP30
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count1
    Exact Mass266.94908 g/mol
    Monoisotopic Mass266.94908 g/mol
    Topological Polar Surface Area112 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity273
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1