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Also known as: 888478-45-3, Rx-5902, P-p68 inhibitor rx-5902, Zu8om8v5wf, 4-(3,5-dimethoxyphenyl)-n-(7-fluoro-3-methoxy-quinoxalin-2-yl)piperazine-1-carboxamide, 4-(3,5-dimethoxyphenyl)-n-(7-fluoro-3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide

Molecular Formula

C₂₂H₂₄FN₅O₄

Molecular Weight

441.5 g/mol

InChI Key

KAKPGJJRYRYSTP-UHFFFAOYSA-N

FDA UNII

ZU8OM8V5WF

P-p68 Inhibitor RX-5902 is an orally bioavailable small molecule inhibitor of phosphorylated-p68 RNA helicase (P-p68), with potential anti-proliferative and antineoplastic activity. Upon oral administration, P-p68 inhibitor RX-5902 may both inhibit the activity of the anti-apoptotic B-cell lymphoma 2 (Bcl-2) protein and facilitate the induction of cyclin-dependent kinase inhibitor 1 (p21). This may prevent G2/M cell cycle progression and lead to growth inhibition in tumor cells. P-p68 is overexpressed in various types of solid tumors but absent in normal tissues, and plays a role in tumor progression and metastasis. p21 is a potent cyclin-dependent kinase inhibitor which regulates cell cycle progression and mediates both growth arrest and cellular senescence.

1 2D Structure

RX-5902

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(3,5-dimethoxyphenyl)-N-(7-fluoro-3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide

2.1.2 InChI

InChI=1S/C22H24FN5O4/c1-30-16-11-15(12-17(13-16)31-2)27-6-8-28(9-7-27)22(29)26-20-21(32-3)25-18-5-4-14(23)10-19(18)24-20/h4-5,10-13H,6-9H2,1-3H3,(H,24,26,29)

2.1.3 InChI Key

KAKPGJJRYRYSTP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC(=CC(=C1)N2CCN(CC2)C(=O)NC3=NC4=C(C=CC(=C4)F)N=C3OC)OC

2.2 Other Identifiers

2.2.1 UNII

ZU8OM8V5WF

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-(3,5-dimethoxyphenyl)-4-((6-fluoro-2-methoxyquinoxalin-3-yl)aminocarbonyl)piperazine

2. Rx-5902

2.3.2 Depositor-Supplied Synonyms

1. 888478-45-3

2. Rx-5902

3. P-p68 Inhibitor Rx-5902

4. Zu8om8v5wf

5. 4-(3,5-dimethoxyphenyl)-n-(7-fluoro-3-methoxy-quinoxalin-2-yl)piperazine-1-carboxamide

6. 4-(3,5-dimethoxyphenyl)-n-(7-fluoro-3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide

7. 1-(3,5-dimethoxyphenyl)-4-((6-fluoro-2-methoxyquinoxalin-3-yl)aminocarbonyl) Piperazine

8. 1-piperazinecarboxamide, 4-(3,5-dimethoxyphenyl)-n-(7-fluoro-3-methoxy-2-quinoxalinyl)-

9. Unii-zu8om8v5wf

10. Schembl1137972

11. Chembl1278118

12. Rx-5902 (supinoxin)

13. Ex-a4696

14. Nsc779374

15. Nsc793148

16. Nsc-779374

17. Nsc-793148

18. Sb19791

19. Hy-123611

20. Cs-0083830

21. 1-[(6-fluoro-2-methoxyquinoxalin-3-yl)aminocarbonyl]-4-(3,5-dimethoxyphenyl)piperazine

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₂₄FN₅O₄
Molecular Weight	441.5 g/mol
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	441.18123243 g/mol
Monoisotopic Mass	441.18123243 g/mol
Topological Polar Surface Area	89 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	611
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1