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Technical details about Ladarixin, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 849776-05-2, Ladarixin [inn], (r)-4-[1-(methylsulfonamido)-1-oxo-2-propyl]phenyl trifluoromethanesulfonate, 4-((2r)-1-oxo-1-(methanesulfonamido)propan-2-yl)phenyl trifluoromethanesulfonate, Deh7q6472o, 849776-05-2 (free)
Molecular Formula
C11H12F3NO6S2
Molecular Weight
375.3  g/mol
InChI Key
DDLPYOCJHQSVSZ-SSDOTTSWSA-N
FDA UNII
DEH7Q6472O

Ladarixin is under investigation in clinical trial NCT04628481 (A Study of Oral Ladarixin in New-onset Type 1 Diabetes and a Low Residual -Cell Function).
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[4-[(2R)-1-(methanesulfonamido)-1-oxopropan-2-yl]phenyl] trifluoromethanesulfonate
2.1.2 InChI
InChI=1S/C11H12F3NO6S2/c1-7(10(16)15-22(2,17)18)8-3-5-9(6-4-8)21-23(19,20)11(12,13)14/h3-7H,1-2H3,(H,15,16)/t7-/m1/s1
2.1.3 InChI Key
DDLPYOCJHQSVSZ-SSDOTTSWSA-N
2.1.4 Canonical SMILES
CC(C1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F)C(=O)NS(=O)(=O)C
2.1.5 Isomeric SMILES
C[C@H](C1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F)C(=O)NS(=O)(=O)C
2.2 Other Identifiers
2.2.1 UNII
DEH7Q6472O
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2'-((4'-trifluoromethanesulfonyloxy)phenyl)-n-methanesulfonylpropionamide

2. Df 2156a

3. Df 2156y

4. Df-2156a

5. Df-2156y

6. Df2156a

7. Df2156y

2.3.2 Depositor-Supplied Synonyms

1. 849776-05-2

2. Ladarixin [inn]

3. (r)-4-[1-(methylsulfonamido)-1-oxo-2-propyl]phenyl Trifluoromethanesulfonate

4. 4-((2r)-1-oxo-1-(methanesulfonamido)propan-2-yl)phenyl Trifluoromethanesulfonate

5. Deh7q6472o

6. 849776-05-2 (free)

7. Methanesulfonic Acid, 1,1,1-trifluoro-, 4-((1r)-1-methyl-2-((methylsulfonyl)amino)-2-oxoethyl)phenyl Ester

8. Methanesulfonic Acid, Trifluoro-, 4-((1r)-1-methyl-2-((methylsulfonyl)amino)-2-oxoethyl)phenyl Ester

9. Df2156a

10. Unii-deh7q6472o

11. Ladarixin [who-dd]

12. Schembl251618

13. Chembl189475

14. Dtxsid50234030

15. Df-2156a

16. Ac6925

17. Bdbm50475370

18. Akos037649625

19. Cs-12792

20. Hy-19519

21. Cs-0015618

22. A857904

23. Q27276351

24. (r)-(-)-n-(2-(4-(trifluoromethanesulfonyloxy)phenyl)propionyl)methanesulfonamide

25. [4-[(2r)-1-(methanesulfonamido)-1-oxopropan-2-yl]phenyl] Trifluoromethanesulfonate

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 375.3 g/mol
Molecular Formula C11H12F3NO6S2
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass375.00581394 g/mol
Monoisotopic Mass375.00581394 g/mol
Topological Polar Surface Area123 Ų
Heavy Atom Count23
Formal Charge0
Complexity624
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Drug Indication

Treatment of type I diabetes mellitus


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