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Ricolinostat

Ricolinostat

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Also known as: 1316214-52-4, Acy-1215, Rocilinostat, 2-(diphenylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)pyrimidine-5-carboxamide, Rocilinostat (acy-1215), Acy-63

Molecular Formula

C₂₄H₂₇N₅O₃

Molecular Weight

433.5 g/mol

InChI Key

QGZYDVAGYRLSKP-UHFFFAOYSA-N

FDA UNII

WKT909C62B

Ricolinostat is an orally bioavailable, specific inhibitor of histone deacetylase 6 (HDAC6) with potential antineoplastic activity. Ricolinostat selectively targets and binds to HDAC6, thereby disrupting the Hsp90 protein chaperone system through hyperacetylation of Hsp90 and preventing the subsequent aggresomal protein degradation. This leads to an accumulation of unfolded and misfolded ubiquitinated proteins and may eventually induce cancer cell apoptosis, and inhibition of cancer cell growth. HDAC6, a class II HDAC deacetylase located in the cytoplasm, appears to play a key role in the formation and activation of the aggresomes needed for degradation of misfolded proteins. Compared to non-selective HDAC inhibitor, ACY-1215 is able to reduce the toxic effects on normal, healthy cells.

1 2D Structure

Ricolinostat

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide

2.1.2 InChI

InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)

2.1.3 InChI Key

QGZYDVAGYRLSKP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO

2.2 Other Identifiers

2.2.1 UNII

WKT909C62B

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-(diphenylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)pyrimidine-5-carboxamide

2. Acy-1215

3. Rocilinostat

2.3.2 Depositor-Supplied Synonyms

1. 1316214-52-4

2. Acy-1215

3. Rocilinostat

4. 2-(diphenylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)pyrimidine-5-carboxamide

5. Rocilinostat (acy-1215)

6. Acy-63

7. Ricolinostat (acy-1215)

8. N-[7-(hydroxyamino)-7-oxoheptyl]-2-(n-phenylanilino)pyrimidine-5-carboxamide

9. Wkt909c62b

10. 7-{[2-(diphenylamino)pyrimidin-5-yl]formamido}-n-hydroxyheptanamide

11. Mfcd22666356

12. 2-(diphenylamino)-n-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide

13. 5-pyrimidinecarboxamide, 2-(diphenylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)-

14. Ricolinostat [usan]

15. Ricolinostat [usan:inn]

16. Unii-wkt909c62b

17. 5-pyrimidinecarboxamide, 2-(diphenylamino)-n-[7-(hydroxyamino)-7-oxoheptyl]-

18. Acy1215

19. Ricolinostat (usan/inn)

20. Ricolinostat [inn]

21. 2-(diphenylamino)-n-[7-(hydroxyamino)-7-oxoheptyl]-5-pyrimidinecarboxamide

22. Mls006011181

23. Ricolinostat [who-dd]

24. Schembl574580

25. Gtpl7010

26. Chembl2364628

27. Chebi:95073

28. Dtxsid40157148

29. Ex-a139

30. Hms3426c09

31. Hms3653f17

32. Hms3886l21

33. Acy 1215

34. Amy38185

35. Bcp06028

36. Bdbm50439674

37. Nsc767952

38. S8001

39. Zinc89630354

40. Akos024259260

41. Ccg-269054

42. Cs-0965

43. Db12376

44. Nsc-767952

45. Sb17054

46. Ncgc00345802-01

47. Ncgc00345802-05

48. Ac-30258

49. As-73344

50. Ba164806

51. Hy-16026

52. Smr004702950

53. Sy096614

54. Sw219836-1

55. D10661

56. J-690127

57. Q27088553

58. Ah4

59. Us8609678, 2-(diphenylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)pyrimidine-5-carboxamide [26]

2.4 Create Date

2011-08-31

3 Chemical and Physical Properties

Molecular Formula	C₂₄H₂₇N₅O₃
Molecular Weight	433.5 g/mol
XLogP3	3.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	11
Exact Mass	433.21138974 g/mol
Monoisotopic Mass	433.21138974 g/mol
Topological Polar Surface Area	107 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	538
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

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Antineoplastic Agents

Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)

Histone Deacetylase Inhibitors

Compounds that inhibit HISTONE DEACETYLASES. This class of drugs may influence gene expression by increasing the level of acetylated HISTONES in specific CHROMATIN domains. (See all compounds classified as Histone Deacetylase Inhibitors.)