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Also known as: 83280-65-3, 2-acetylfuro-1,4-naphthoquinone, Bbi608, 2-acetylnaphtho[2,3-b]furan-4,9-dione, 2-acetylbenzo[f][1]benzofuran-4,9-dione, Bbi-608

Molecular Formula

C₁₄H₈O₄

Molecular Weight

240.21 g/mol

InChI Key

DPHUWDIXHNQOSY-UHFFFAOYSA-N

FDA UNII

Z1HHM49K7O

Napabucasin is an orally available cancer cell stemness inhibitor with potential antineoplastic activity. Even though the exact target has yet to be fully elucidated, napabucasin appears to target and inhibit multiple pathways involved in cancer cell stemness. This may ultimately inhibit cancer stemness cell (CSC) growth as well as heterogeneous cancer cell growth. CSCs, self-replicating cells that are able to differentiate into heterogeneous cancer cells, appear to be responsible for the malignant growth, recurrence and resistance to conventional chemotherapies.

1 2D Structure

Napabucasin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-acetylbenzo[f][1]benzofuran-4,9-dione

2.1.2 InChI

InChI=1S/C14H8O4/c1-7(15)11-6-10-12(16)8-4-2-3-5-9(8)13(17)14(10)18-11/h2-6H,1H3

2.1.3 InChI Key

DPHUWDIXHNQOSY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)C1=CC2=C(O1)C(=O)C3=CC=CC=C3C2=O

2.2 Other Identifiers

2.2.1 UNII

Z1HHM49K7O

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Bb608 Compound

2. Bbi608

2.3.2 Depositor-Supplied Synonyms

1. 83280-65-3

2. 2-acetylfuro-1,4-naphthoquinone

3. Bbi608

4. 2-acetylnaphtho[2,3-b]furan-4,9-dione

5. 2-acetylbenzo[f][1]benzofuran-4,9-dione

6. Bbi-608

7. Napabucasin (bbi608)

8. 2-acetylfuranonaphthoquinone

9. Z1hhm49k7o

10. 2-acetylnaphtho(2,3-b)furan-4,9-dione

11. Bbi 608

12. 2-acetyl-4h,9h-naphtho[2,3-b]furan-4,9-dione

13. Napabucasin [usan:inn]

14. Unii-z1hhm49k7o

15. Fnq

16. Napabucasin; Bbi608

17. Napabucasin [inn]

18. Napabucasin [jan]

19. Napabucasin [usan]

20. Napabucasin [who-dd]

21. Chembl64130

22. Napabucasin (jan/usan/inn)

23. Schembl1883845

24. Gtpl11358

25. Amy27812

26. Bcp07628

27. Ex-a1314

28. Bdbm50366597

29. Mfcd28155270

30. Nsc788900

31. Nsc816092

32. S7977

33. Zinc13306865

34. Akos027470201

35. Ccg-266871

36. Cs-1747

37. Db12155

38. Nsc-788900

39. Nsc-816092

40. 2-acetyl Naphtho2,3-bfuran-4,9-dione

41. Ac-32935

42. As-60519

43. Hy-13919

44. 2-acetyl-naphtho[2,3-b]furan-4,9-dione

45. A13474

46. D10717

47. F17379

48. Naphtho(2,3-b)furan-4,9-dione, 2-acetyl-

49. Q27294876

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₈O₄
Molecular Weight	240.21 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	240.04225873 g/mol
Monoisotopic Mass	240.04225873 g/mol
Topological Polar Surface Area	64.4 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	414
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