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CAS 82956-11-4

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Also known as: 82956-11-4, Nafamostat mesilate, Fut-175, Nafamstat mesilate, Ronastat, Nafamostat mesylate [usan]

Molecular Formula

C₂₁H₂₅N₅O₈S₂

Molecular Weight

539.6 g/mol

InChI Key

SRXKIZXIRHMPFW-UHFFFAOYSA-N

FDA UNII

1D2T74921W

NAFAMOSTAT MESYLATE is a small molecule drug with a maximum clinical trial phase of III and has 1 investigational indication.

1 2D Structure

CAS 82956-11-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(6-carbamimidoylnaphthalen-2-yl) 4-(diaminomethylideneamino)benzoate;methanesulfonic acid

2.1.2 InChI

InChI=1S/C19H17N5O2.2CH4O3S/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23;2*1-5(2,3)4/h1-10H,(H3,20,21)(H4,22,23,24);2*1H3,(H,2,3,4)

2.1.3 InChI Key

SRXKIZXIRHMPFW-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

1D2T74921W

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 6'-amidino-2-naphthyl 4-guanidinobenzoate

2. 6'-amidino-2-naphthyl 4-guanidinobenzoate, Dimethanesulfonate

3. Benzoic Acid, 4-((aminoiminomethyl)amino)-, 6-(aminoiminomethyl)-2-naphthalenyl Ester

4. Benzoic Acid, 4-((aminoiminomethyl)amino)-, 6-(aminoiminomethyl)-2-naphthalenyl Ester, Dihydrochloride

5. Benzoic Acid, 4-((aminoiminomethyl)amino)-, 6-(aminoiminomethyl)-2-naphthalenyl Ester, Dimethanesulfonate

6. Ckd-314

7. Ckd314

8. Fut 175

9. Fut-175

10. Nafamostat

11. Nafamostat Dihydrochloride

12. Nafamostat Mesilate

13. Nafamstat Mesilate

14. Ronastat

2.3.2 Depositor-Supplied Synonyms

1. 82956-11-4

2. Nafamostat Mesilate

3. Fut-175

4. Nafamstat Mesilate

5. Ronastat

6. Nafamostat Mesylate [usan]

7. Ronastat (tn)

8. Nafamostat Dimethanesulfonate

9. Nafamostat Mesylate (usan)

10. Nafamostat Mesilate (jp17)

11. Fut 175

12. Benzoic Acid, 4-[(aminoiminomethyl)amino]-, 6-(aminoiminomethyl)-2-naphthalenyl Ester, Dimethanesulfonate

13. Dtxsid7046128

14. Nafamostat Mesilate [jan]

15. Nafamostat Mesilate [mart.]

16. Nafamostat Mesilate [who-dd]

17. 1d2t74921w

18. Unii-1d2t74921w

19. 6-amidino-2-naphthyl P-guanidinobenzoate, Dimethanesulfonate

20. Ckd-314

21. Nafamostat Dimethanesulfonate [mi]

22. Benzoic Acid, 4-((aminoiminomethyl)amino)-, 6-(aminoiminomethyl)-2-naphthalenyl Ester, Dimethanesulfonate

23. 6-amidino-2-naphthyl 4-guanidinobenzoate Dimethanesulfonate

24. Nafamostat Mesilate (mart.)

25. 6-amidino-2-naphthyl P-guanidinobenzoate, Dimethanesulphonate

26. Dtxcid5026128

27. Benzoic Acid, 4-((aminoiminomethyl)amino)-, 6-(aminoiminomethyl)-2-naphthalenyl Ester, Dimethanesulphonate

28. Fut175

29. 6'-amidino-2-naphthyl 4-guanidinobenzoate, Dimethanesulfonate

30. 6-amidinonaphthalen-2-yl 4-guanidinobenzoate Bis(methanesulfonate)

31. Futhan

32. Nafamostat (mesylate)

33. Nafamstat

34. 6-carbamimidoylnaphthalen-2-yl 4-guanidinobenzoate Dimethanesulfonate

35. 6-[amino(imino)methyl]-2-naphthyl 4-{[amino(imino)methyl]amino}benzoate Dimethanesulfonate

36. (6-carbamimidoylnaphthalen-2-yl) 4-(diaminomethylideneamino)benzoate;methanesulfonic Acid

37. Mfcd00941430

38. Nafamostat (mesylate)?

39. Schembl1568755

40. Chembl3989553

41. Hy-b0190a

42. Hms3654j21

43. 6-amidino-2-naphthyl 4-guanidinobenzoate Bis(methanesulfonate)

44. Bcp04841

45. Ac-984

46. S1386

47. 4-guanidinobenzoic Acid 6-amidino-2-naphthyl Ester Bis(methanesulfonate)

48. Akos015852498

49. Nafamostat Mesylate, >=98% (hplc)

50. Ccg-207877

51. Fa26119

52. Hs-0059

53. Nafamostat Mesylate - Bio-x Trade Mark

54. Ba164628

55. N0959

56. Sw219392-1

57. D01670

58. F52835

59. Sbi-0207120.0001

60. Q27252259

61. Fut-175;6-amidino-2-naphthyl P-guanidinobenzoate Dimethanesulfonate

62. Fut-175, 6-amidino-2-naphthyl-4-guanidinoenzoate, Mesylate;6-amidino-2-naphthyl 4-guanidino-benzoate Dimethanesulphonate

2.4 Create Date

2005-12-20

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₂₅N₅O₈S₂
Molecular Weight	539.6 g/mol
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	266
Heavy Atom Count	36
Formal Charge	0
Complexity	645
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	3

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Anti-Inflammatory Agents, Non-Steroidal

Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects. (See all compounds classified as Anti-Inflammatory Agents, Non-Steroidal.)

Complement Inactivating Agents

Compounds that negatively regulate the cascade process of COMPLEMENT ACTIVATION. Uncontrolled complement activation and resulting cell lysis is potentially dangerous for the host. (See all compounds classified as Complement Inactivating Agents.)

Trypsin Inhibitors

Serine proteinase inhibitors which inhibit trypsin. They may be endogenous or exogenous compounds. (See all compounds classified as Trypsin Inhibitors.)

Protease Inhibitors

Compounds which inhibit or antagonize biosynthesis or actions of proteases (ENDOPEPTIDASES). (See all compounds classified as Protease Inhibitors.)

Anticoagulants

Agents that prevent BLOOD CLOTTING. (See all compounds classified as Anticoagulants.)

Serine Proteinase Inhibitors

Exogenous or endogenous compounds which inhibit SERINE ENDOPEPTIDASES. (See all compounds classified as Serine Proteinase Inhibitors.)