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Ifetroban

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DEVELOPMENTS

1 Drugs in Development

1 Drugs in Development

Synopsis

ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 143443-90-7, Bms-180291, Ifetroban [usan:inn], Unii-e833kt807k, 3-[2-[[(1s,2r,3s,4r)-3-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoic acid, Bms 180291-02

Molecular Formula

C₂₅H₃₂N₂O₅

Molecular Weight

440.5 g/mol

InChI Key

BBPRUNPUJIUXSE-DXKRWKNPSA-N

FDA UNII

E833KT807K

IFETROBAN is a small molecule drug with a maximum clinical trial phase of II (across all indications) and has 7 investigational indications.

1 2D Structure

Ifetroban

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-[2-[[(1S,2R,3S,4R)-3-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoic acid

2.1.2 InChI

InChI=1S/C25H32N2O5/c1-2-3-6-13-26-24(30)19-15-31-25(27-19)23-18(20-10-11-21(23)32-20)14-17-8-5-4-7-16(17)9-12-22(28)29/h4-5,7-8,15,18,20-21,23H,2-3,6,9-14H2,1H3,(H,26,30)(H,28,29)/t18-,20-,21+,23-/m0/s1

2.1.3 InChI Key

BBPRUNPUJIUXSE-DXKRWKNPSA-N

2.2 Other Identifiers

2.2.1 UNII

E833KT807K

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Bms 180291

2. Bms-180291

3. Bms180291

2.3.2 Depositor-Supplied Synonyms

1. 143443-90-7

2. Bms-180291

3. Ifetroban [usan:inn]

4. Unii-e833kt807k

5. 3-[2-[[(1s,2r,3s,4r)-3-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoic Acid

6. Bms 180291-02

7. E833kt807k

8. Ifetroban [inn]

9. Ifetroban [usan]

10. Bms 180291

11. Dtxsid40869931

12. Benzenepropanoic Acid, 2-((3-(4-((pentylamino)carbonyl)-2-oxazolyl)-7-oxabicyclo(2.2.1)hept-2-yl)methyl)-, (1s-(exo,exo))-

13. Bms 180,291

14. 3-[2-[[(1s,4r,5s,6r)-5-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-6-yl]methyl]phenyl]propanoic Acid

15. O-((1s,2r,3s,4r)-3-(4-(pentylcarbamoyl)-2-oxazolyl)-7-oxabicyclo(2.2.1)hept-2-yl)methyl)hydrocinnamic Acid

16. Ifetrobanum

17. 3-(2-(((1s,2r,3s,4r)-3-(4-(pentylcarbamoyl)-1,3-oxazol-2-yl)-7-oxabicyclo(2.2.1)heptan-2-yl)methyl)phenyl)propanoic Acid

18. 3-(2-(((1s,4r,5s,6r)-5-(4-(pentylcarbamoyl)-1,3-oxazol-2-yl)-7-oxabicyclo(2.2.1)heptan-6-yl)methyl)phenyl)propanoic Acid

19. 3-(2-{[(1s,2r,3s,4r)-3-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl}phenyl)propanoic Acid

20. O-[[1s,2r,3s,4r)-3-[4-(pentylcarbamoyl)-2-oxazolyl]-7-oxabicyclo[2.2.1]hept-2-yl]methyl]hydrocinnamic Acid

21. Bms180291

22. Schembl28135

23. Gtpl1987

24. Chembl3301673

25. Dtxcid30820733

26. Chebi:188730

27. Bdbm50212318

28. Akos040748563

29. Db12321

30. Da-74420

31. Hy-105218

32. Cs-0025381

33. Ns00069206

34. Q5991162

2.4 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₂₅H₃₂N₂O₅
Molecular Weight	440.5 g/mol
XLogP3	4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	11
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	102
Heavy Atom Count	32
Formal Charge	0
Complexity	644
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Platelet Aggregation Inhibitors

Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system. (See all compounds classified as Platelet Aggregation Inhibitors.)

Drugs in Development