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Also known as: 209410-46-8, Vx-745, 5-(2,6-dichlorophenyl)-2-((2,4-difluorophenyl)thio)-6h-pyrimido[1,6-b]pyridazin-6-one, Vx 745, Vx745, 5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfanylpyrimido[1,6-b]pyridazin-6-one

Molecular Formula

C₁₉H₉Cl₂F₂N₃OS

Molecular Weight

436.3 g/mol

InChI Key

VEPKQEUBKLEPRA-UHFFFAOYSA-N

FDA UNII

TYL52QM320

Neflamapimod has been used in trials studying the treatment of Alzheimer's Disease and Mild Cognitive Impairment.

1 2D Structure

Neflamapimod

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfanylpyrimido[1,6-b]pyridazin-6-one

2.1.2 InChI

InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H

2.1.3 InChI Key

VEPKQEUBKLEPRA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C(=C1)Cl)C2=C3C=CC(=NN3C=NC2=O)SC4=C(C=C(C=C4)F)F)Cl

2.2 Other Identifiers

2.2.1 UNII

TYL52QM320

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 6h-pyrimido(1,6-b)pyridazin-6-one,5-(2,6-dichlorophenyl)-2-(phenylthio)-

2. Vx-745

2.3.2 Depositor-Supplied Synonyms

1. 209410-46-8

2. Vx-745

3. 5-(2,6-dichlorophenyl)-2-((2,4-difluorophenyl)thio)-6h-pyrimido[1,6-b]pyridazin-6-one

4. Vx 745

5. Vx745

6. 5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfanylpyrimido[1,6-b]pyridazin-6-one

7. Vrt-031745

8. Neflamapimod [usan]

9. 5-(2,6-dichlorophenyl)-2-(2,4-difluorophenylthio)-6h-pyrimido[1,6-b]pyridazin-6-one

10. Vd-31745

11. Vd-31,745

12. Tyl52qm320

13. Chebi:90528

14. 5-(2,6-dichlorophenyl)-2-[2,4-difluorophenyl)thio]-6h-pyrimido[1,6-b]pyridazin-6-one

15. Neflamapimod (usan)

16. 5-(2,6-dichlorophenyl)-2-((2,4-difluorophenyl)-thio)-6h-pyrimido[1,6-b]pyridazin-6-one

17. 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6h-pyrimido[1,6-b]pyridazin-6-one

18. 5-(2,6-dichlorophenyl)-2-((2,4-difluorophenyl)thio)-6h-pyrimido(1,6-b)pyridazin-6-one

19. 5-(2,6-dichlorophenyl)-2-(2,4-difluorophenylsulfanyl)-6h-pyrimido[3,4-b]pyridazin-6-one

20. 6h-pyrimido(1,6-b)pyridazin-6-one, 5-(2,6-dichlorophenyl)-2-((2,4-difluorophenyl)thio)-

21. 6h-pyrimido[1,6-b]pyridazin-6-one, 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)thio]-

22. C19h9cl2f2n3os

23. Hexadecylacrylate

24. Kinome_3767

25. Neflamapimod [inn]

26. Unii-tyl52qm320

27. Mls006010281

28. Neflamapimod [who-dd]

29. Schembl156367

30. Chembl119385

31. Gtpl5719

32. Bdbm15244

33. Cid_3038525

34. Dtxsid90175115

35. Ex-a854

36. Bcpp000015

37. Hms3295m13

38. Hms3654l10

39. Hms3884m17

40. Vd-31

41. Bcp01837

42. Ac-707

43. Mfcd09834070

44. Nsc785334

45. S1458

46. Zinc13493055

47. Akos005766014

48. Am84727

49. Ccg-269082

50. Cs-0195

51. Db07138

52. Ex-8451

53. Nsc-785334

54. Sb19425

55. 5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfanylpyridazino[6,1-f]pyrimidin-6-one

56. Ncgc00241111-01

57. Ncgc00241111-02

58. Ncgc00241111-12

59. Hy-10328

60. Smr004701351

61. Db-000564

62. Vx-745, >=98% (hplc)

63. Ft-0654042

64. Sw219693-1

65. D10959

66. 410v468

67. 5t-0205

68. A815037

69. J-013730

70. J-516084

71. Brd-k91900765-001-01-9

72. Q27089208

73. 5-(2,6-dichloro-phenyl)-2-(2,4-difluoro-phenylsulfanyl)-1,7,8a-triaza-naphthalen-6-one

74. 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6h-pyrimido[1,6-a]pyridazin-6-one

75. 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)thio]-6-pyrimido[1,6-b]pyridazinone

76. 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)thio]pyrimido[1,6-b]pyridazin-6-one

77. 5-(2,6-dichlorophenyl)-2-((2,4-difluorophenyl)thio)-6h-pyrimido(1,6-b)pyridazine-6-one

78. 5-(2,6-dichlorophenyl)-9-(2,4-difluorophenyl)sulfanyl-1,3,10-triazabicyclo[4.4.0]deca-2,5,7,9-tetraen-4-one

79. 5-[2,6-bis(chloranyl)phenyl]-2-[2,4-bis(fluoranyl)phenyl]sulfanyl-pyrimido[1,6-b]pyridazin-6-one

2.4 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₉Cl₂F₂N₃OS
Molecular Weight	436.3 g/mol
XLogP3	5.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	434.9811448 g/mol
Monoisotopic Mass	434.9811448 g/mol
Topological Polar Surface Area	70.3 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	762
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