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Chemistry

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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

RRx-001
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

RRx-001

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

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