Apilimod mesylate

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Also known as: 870087-36-8, Apilimod dimesylate, Sta-5326 mesylate, Sta 5326 mesylate, Apilimod mesylate [usan], (e)-4-(6-(2-(3-methylbenzylidene)hydrazinyl)-2-(2-(pyridin-2-yl)ethoxy)pyrimidin-4-yl)morpholine dimethanesulfonate

Molecular Formula

C₂₅H₃₄N₆O₈S₂

Molecular Weight

610.7 g/mol

InChI Key

GAJWNIKZLYZYSY-OKUPSQOASA-N

FDA UNII

5G3P5OK11S

1 2D Structure

Apilimod mesylate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methanesulfonic acid;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine

2.1.2 InChI

InChI=1S/C23H26N6O2.2CH4O3S/c1-18-5-4-6-19(15-18)17-25-28-21-16-22(29-10-13-30-14-11-29)27-23(26-21)31-12-8-20-7-2-3-9-24-20;2*1-5(2,3)4/h2-7,9,15-17H,8,10-14H2,1H3,(H,26,27,28);2*1H3,(H,2,3,4)/b25-17+;;

2.1.3 InChI Key

GAJWNIKZLYZYSY-OKUPSQOASA-N

2.1.4 Canonical SMILES

CC1=CC(=CC=C1)C=NNC2=CC(=NC(=N2)OCCC3=CC=CC=N3)N4CCOCC4.CS(=O)(=O)O.CS(=O)(=O)O

2.1.5 Isomeric SMILES

CC1=CC(=CC=C1)/C=N/NC2=CC(=NC(=N2)OCCC3=CC=CC=N3)N4CCOCC4.CS(=O)(=O)O.CS(=O)(=O)O

2.2 Other Identifiers

2.2.1 UNII

5G3P5OK11S

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Apilimod

2. Apilimod Bis-mesylate

3. Apilimod Bismesylate

4. Apilimod Dimesylate

5. Apilimod Mesilate

6. Sta 5326

7. Sta 5326 Mesilate

8. Sta 5326 Mesylate

9. Sta-5326

10. Sta-5326 Mesilate

11. Sta-5326 Mesylate

12. Sta5326

2.3.2 Depositor-Supplied Synonyms

1. 870087-36-8

2. Apilimod Dimesylate

3. Sta-5326 Mesylate

4. Sta 5326 Mesylate

5. Apilimod Mesylate [usan]

6. (e)-4-(6-(2-(3-methylbenzylidene)hydrazinyl)-2-(2-(pyridin-2-yl)ethoxy)pyrimidin-4-yl)morpholine Dimethanesulfonate

7. 5g3p5ok11s

8. Apilimod (mesylate)

9. Apilimod Mesylate (usan)

10. Methanesulfonic Acid;n-[(e)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine

11. Apilimod Mesilate

12. 4-(6-(2-(3-methylbenzylidene)hydrazinyl)-2-(2-(pyridin-2-yl)ethoxy)pyrimidin-4-yl)morpholine Dimethanesulfonate

13. Benzaldehyde, 3-methyl-, (6-(4-morpholinyl)-2-(2-(2-pyridinyl)ethoxy)-4-pyrimidinyl)hydrazone, Dimethanesulfonate

14. Apilimod Bis-mesylate

15. Sta 5326 Mesilate

16. Sta-5326 Mesilate

17. Unii-5g3p5ok11s

18. Sta 5326 Dimesylate

19. Schembl3082380

20. Ex-a909

21. Apilimod Dimesylate [who-dd]

22. Hy-14644a

23. Mfcd28167749

24. As-16911

25. Ba177431

26. S0785

27. D06556

28. A931017

29. J-690369

30. 2-(5-chloro-2-{[3-(4-methyl-1-piperazinyl)propyl]amino}-4-pyrimidinyl)-n-cyclopropyl-1-benzothiophene-4-carboxamide

31. Benzaldehyde, 3-methyl-, (6-(4-morpholinyl)-2-(2-(2-pyridinyl)ethoxy)-4-pyrimidinyl)hydrazone Mesilate

32. Benzaldehyde, 3-methyl-, (6-(4-morpholinyl)-2-(2-(2-pyridinyl)ethoxy)-4-pyrimidinyl)hydrazone Mesylate

33. Benzaldehyde, 3-methyl-, (6-(4-morpholinyl)-2-(2-(2-pyridinyl)ethoxy)-4-pyrimidinyl)hydrazone, Dimethanesulphonate

34. Benzaldehyde, 3-methyl-, 2-(6-(4-morpholinyl)-2-(2-(2-pyridinyl)ethoxy)-4-pyrimidinyl)hydrazone Methanesulfonate (1:2)

35. Benzaldehyde, 3-methyl-, 2-(6-(4-morpholinyl)-2-(2-(2-pyridinyl)ethoxy)-4-pyrimidinyl)hydrazone Methanesulphonate (1:2)

36. Benzaldehyde, 3-methyl-,[6-(4-morpholinyl)-2-[2-(2-pyridinyl)ethoxy]-4-pyrimidinyl]hydrazone,dimethanesulfonate

37. N-(3-methylbensylidene) N-(6-morpholin-4-yl-2(2-pyridin-2-yl-ethoxy)-pyrimidin-4-yl)-hydrazine Bismesilate

38. N-(3-methylbensylidene) N-(6-morpholin-4-yl-2(2-pyridin-2-yl-ethoxy)-pyrimidin-4-yl)-hydrazine Bismesylate

39. N-(3-methylbensylidene) N?-(6-morpholin-4-yl-2(2-pyridin-2-yl-ethoxy)-pyrimidin-4-yl)-hydrazine Bismesylate

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₂₅H₃₄N₆O₈S₂
Molecular Weight	610.7 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	8
Exact Mass	610.18795441 g/mol
Monoisotopic Mass	610.18795441 g/mol
Topological Polar Surface Area	210 Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	637
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	3