Also known as: 2114324-48-8, Tak-925, Danavorexton [inn], 1qmd83k4yn, Methyl (2r,3s)-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylate, (2r,3s)-methyl 3-(methylsulfonamido)-2-(((cis-4-phenylcyclohexyl)oxy)methyl)piperidine-1-carboxylate

Molecular Formula

C₂₁H₃₂N₂O₅S

Molecular Weight

424.6 g/mol

InChI Key

UXZAJSZFFARTEI-GUMHCPJTSA-N

FDA UNII

1QMD83K4YN

DANAVOREXTON is a small molecule drug with a maximum clinical trial phase of II (across all indications) and has 5 investigational indications.

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl (2R,3S)-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylate

2.1.2 InChI

InChI=1S/C21H32N2O5S/c1-27-21(24)23-14-6-9-19(22-29(2,25)26)20(23)15-28-18-12-10-17(11-13-18)16-7-4-3-5-8-16/h3-5,7-8,17-20,22H,6,9-15H2,1-2H3/t17?,18?,19-,20-/m0/s1

2.1.3 InChI Key

UXZAJSZFFARTEI-GUMHCPJTSA-N

2.2 Other Identifiers

2.2.1 UNII

1QMD83K4YN

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Methyl (2r,3s)-3-(methanesulfonamido)-2-((4-phenylcyclohexyl)oxymethyl)piperidine-1-carboxylate

2. Tak-925

2.3.2 Depositor-Supplied Synonyms

1. 2114324-48-8

2. Tak-925

3. Danavorexton [inn]

4. 1qmd83k4yn

5. Methyl (2r,3s)-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylate

6. (2r,3s)-methyl 3-(methylsulfonamido)-2-(((cis-4-phenylcyclohexyl)oxy)methyl)piperidine-1-carboxylate

7. 1-piperidinecarboxylic Acid, 3-((methylsulfonyl)amino)-2-(((cis-4-phenylcyclohexyl)oxy)methyl)-, Methyl Ester, (2r,3s)-

8. Methyl (2r,3s)-3-((methylsulfonyl)amino)-2-(((cis-4-phenylcyclohexyl)oxy)methyl)piperidine-1-carboxylate

9. Methyl (2r,3s)-3-[(methanesulfonyl)amino]-2-({[(1s,4s)-4-phenylcyclohexyl]oxy}methyl)piperidine-1-carboxylate

10. A6f

11. Unii-1qmd83k4yn

12. Tak925

13. Chembl4650341

14. Schembl19219900

15. Gtpl11448

16. Us10287305, Example 5

17. Bdbm386067

18. Bdbm386216

19. Dtxsid401336757

20. Glxc-25309

21. Ex-a6332

22. Example 5 [us10287305]

23. Tak-925?

24. Us10287305, Example 191

25. Akos040757301

26. Ms-27472

27. Hy-133898

28. Cs-0135024

29. G16352

30. En300-2010728

31. Methyl (2r,3s)-3- ((methylsulfonyl)amino)-2-(((cis-4- Phenylcyclohexyl)oxy)methyl)- Piperidine-1-carboxylate

32. Methyl (2r,3s)-3-methanesulfonamido-2-({[(1s,4s)-4-phenylcyclohexyl]oxy}methyl)piperidine-1-carboxylate

33. Methyl-d3 (2r,3s)-3- ((methylsulfonyl)amino)-2-(((cis-4- Phenylcyclohexyl)oxy)methyl)- Piperidine-1-carboxylate

2.4 Create Date

2017-10-07

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₃₂N₂O₅S
Molecular Weight	424.6 g/mol
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	93.3
Heavy Atom Count	29
Formal Charge	0
Complexity	622
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Danavorexton

Danavorexton

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