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Also known as: 199657-29-9, Givinostat hcl, Givinostat (hydrochloride), Itf 2357, Z02132r2qq, Unii-z02132r2qq

Molecular Formula

C₂₄H₂₈ClN₃O₄

Molecular Weight

457.9 g/mol

InChI Key

QKSGNWJOQMSBEP-UHFFFAOYSA-N

FDA UNII

Z02132R2QQ

Histone Deacetylase Inhibitor is any substance that inhibits histone deacetylase, an enzyme that catalyzes the removal of acetyl groups from core histones. Inhibition of histone deacetylase can result in hyperacetylation of histones, with an effect on gene expression and cell differentiation.

1 2D Structure

Givinostat HCl

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[4-(hydroxycarbamoyl)phenyl]carbamate;hydrochloride

2.1.2 InChI

InChI=1S/C24H27N3O4.ClH/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30;/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28);1H

2.1.3 InChI Key

QKSGNWJOQMSBEP-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

Z02132R2QQ

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Itf 2357

2. Itf2357

2.3.2 Depositor-Supplied Synonyms

1. 199657-29-9

2. Givinostat Hcl

3. Givinostat (hydrochloride)

4. Itf 2357

5. Z02132r2qq

6. Unii-z02132r2qq

7. Itf2357 Hydrochloride

8. Itf-2357 Hydrochloride

9. Histone Deacetylase Inhibitor

10. Itf2357

11. Itf-2357

12. Carbamic Acid, N-[4-[(hydroxyamino)carbonyl]phenyl]-, [6-[(diethylamino)methyl]-2-naphthalenyl]methyl Ester, Hydrochloride (1:1)

13. [6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[4-(hydroxycarbamoyl)phenyl]carbamate;hydrochloride

14. Carbamic Acid, N-(4-((hydroxyamino)carbonyl)phenyl)-, (6-((diethylamino)methyl)-2-naphthalenyl)methyl Ester, Hydrochloride (1:1)

15. (6-((diethylamino)methyl)naphthalen-2-yl)methyl (4-(hydroxycarbamoyl)phenyl)carbamate Hydrochloride

16. Mfcd28502062

17. {6-[(diethylamino)methyl]naphthalen-2-yl}methyl [4-(hydroxycarbamoyl)phenyl]carbamate Hydrochloride

18. Itf 2357 Hydrochloride

19. Givinostat Monohydrochloride

20. Schembl23529420

21. Givinostat Hydrochloride Anhydrous

22. Chebi:231333

23. Ex-a8024

24. Zha65729

25. Hy-14842a

26. Akos030526700

27. Cs-4728

28. Sb16937

29. As-52365

30. En300-257964

31. P14959

32. Q27294820

33. Z2327390266

34. (6-((diethylamino)methyl)naphthalen-2-yl)methyl 4-(hydroxycarbamoyl)phenylcarbamate Hydrochloride

35. [6-[(diethylamino)methyl]-2-naphthalenyl]methyl N-[4-[(hydroxyamino)carbonyl]phenyl]carbamate Hydrochloride (1:1)

36. {6-[(diethylamino)methyl]naphthalen-2-yl}methyl [4-(hydroxycarbamoyl)phenyl]carbamate--hydrogen Chloride

37. {6-[(diethylamino)methyl]naphthalen-2-yl}methyl N-[4-(hydroxycarbamoyl)phenyl]carbamate Hydrochloride

2.3.3 Other Synonyms

1. Givinostat

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₄H₂₈ClN₃O₄
Molecular Weight	457.9 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	90.9
Heavy Atom Count	32
Formal Charge	0
Complexity	575
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	2

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

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.)

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