Also known as: 910462-43-0, 4sc-202, (e)-n-(2-aminophenyl)-3-(1-((4-(1-methyl-1h-pyrazol-4-yl)phenyl)sulfonyl)-1h-pyrrol-3-yl)acrylamide, 264arm7uxx, Hdac inhibitor 4sc-202, 2-propenamide, n-(2-aminophenyl)-3-(1-((4-(1-methyl-1h-pyrazol-4-yl)phenyl)sulfonyl)-1h-pyrrol-3-yl)-, (2e)-

Molecular Formula

C₂₃H₂₁N₅O₃S

Molecular Weight

447.5 g/mol

InChI Key

PRXXYMVLYKJITB-IZZDOVSWSA-N

FDA UNII

264ARM7UXX

inhibitor of human class I histone deacetylases

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(E)-N-(2-aminophenyl)-3-[1-[4-(1-methylpyrazol-4-yl)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide

2.1.2 InChI

InChI=1S/C23H21N5O3S/c1-27-16-19(14-25-27)18-7-9-20(10-8-18)32(30,31)28-13-12-17(15-28)6-11-23(29)26-22-5-3-2-4-21(22)24/h2-16H,24H2,1H3,(H,26,29)/b11-6+

2.1.3 InChI Key

PRXXYMVLYKJITB-IZZDOVSWSA-N

2.2 Other Identifiers

2.2.1 UNII

264ARM7UXX

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4sc-202

2.3.2 Depositor-Supplied Synonyms

1. 910462-43-0

2. 4sc-202

3. (e)-n-(2-aminophenyl)-3-(1-((4-(1-methyl-1h-pyrazol-4-yl)phenyl)sulfonyl)-1h-pyrrol-3-yl)acrylamide

4. 264arm7uxx

5. Hdac Inhibitor 4sc-202

6. 2-propenamide, N-(2-aminophenyl)-3-(1-((4-(1-methyl-1h-pyrazol-4-yl)phenyl)sulfonyl)-1h-pyrrol-3-yl)-, (2e)-

7. Domatinostatum

8. Refchem:920610

9. (2e)-n-(2-aminophenyl)-3-(1-(4-(1-methyl-1h-pyrazol-4-yl)benzenesulfonyl)-1h-pyrrol-3-yl)prop-2-enamide

10. 4sc-202 (free Base)

11. (e)-n-(2-aminophenyl)-3-[1-[4-(1-methylpyrazol-4-yl)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide

12. Mfcd28155264

13. Unii-264arm7uxx

14. 4sc202

15. Domatinostat [inn]

16. Domatinostat (4sc-202)

17. Domatinostat [who-dd]

18. Orb1300834

19. Schembl1613939

20. Chembl4283683

21. Schembl30477018

22. Prxxymvlykjitb-izzdovswsa-n

23. Glxc-10802

24. Bcp18522

25. Bdbm50470579

26. Hy-16012a

27. S7555

28. Akos030526982

29. Ccg-269205

30. Cs-3275

31. Db13101

32. Ncgc00384199-04

33. 4sc-202?

34. As-77606

35. Bp-40062

36. Ns00072115

37. Brd-k11773281-001-01-2

38. Brd-k11773281-075-01-6

39. Brd-k11773281-075-02-4

40. Q27254045

41. (e)-n-(2-amino-phenyl)-3-{1-[4-(1-methyl-1h-pyrazol-4-yl)-benzene Sulfonyl]-1h-pyrrol-3-yl}-acrylamide

42. (e)-n-(2-amino-phenyl)-3-{1-[4-(1-methyl-1h-pyrazol-4-yl)-benzenesulfonyl]-1h-pyrrol-3-yl}-acrylamide

2.4 Create Date

2007-03-27

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₂₁N₅O₃S
Molecular Weight	447.5 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	120
Heavy Atom Count	32
Formal Charge	0
Complexity	775
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Domatinostat

Domatinostat

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