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Chemistry

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Also known as: 2260969-36-4, Selnoflast [inn], T23rpa8wa2, Rg6418, Ro7486967, Ro-7486967
Molecular Formula
C20H29N3O3S
Molecular Weight
391.5  g/mol
InChI Key
OHIFQOUPTWBQLE-UHFFFAOYSA-N
FDA UNII
T23RPA8WA2

Selnoflast
Selnoflast is a small molecule drug. The usage of the INN stem '-noflast' in the name indicates that Selnoflast is a inflammasome protein NLRP3 inhibitor. Selnoflast is under investigation in clinical trial NCT05924243 (A Study to Investigate The Safety, Tolerability, Pharmacokinetics and Pharmacodynamics of RO7486967 in Participants With Early Idiopathic Parkinson's Disease.). Selnoflast has a monoisotopic molecular weight of 391.19 Da.
1 2D Structure

Selnoflast

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(1-ethylpiperidin-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
2.1.2 InChI
InChI=1S/C20H29N3O3S/c1-2-23-11-9-16(10-12-23)27(25,26)22-20(24)21-19-17-7-3-5-14(17)13-15-6-4-8-18(15)19/h13,16H,2-12H2,1H3,(H2,21,22,24)
2.1.3 InChI Key
OHIFQOUPTWBQLE-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
T23RPA8WA2
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 2260969-36-4

2. Selnoflast [inn]

3. T23rpa8wa2

4. Rg6418

5. Ro7486967

6. Ro-7486967

7. Rg-6418

8. Example 6 [wo2019008025a1]

9. 1-(1-ethylpiperidin-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea

10. 1-ethyl-n-(((1,2,3,5,6,7-hexahydro-s-indacen-4-yl)amino)carbonyl)-4-piperidinesulfonamide

11. 4-piperidinesulfonamide, 1-ethyl-n-(((1,2,3,5,6,7-hexahydro-s-indacen-4-yl)amino)carbonyl)-

12. Example 6 (wo2019008025a1)

13. Refchem:182333

14. Selnoflast [usan]

15. Selnoflast [usan:inn]

16. Unii-t23rpa8wa2

17. Who 11687

18. 1-ethyl-n-((1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl)piperidine-4-sulfonamide

19. 1-ethyl-n-[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl]piperidine-4-sulfonamide

20. Selnoflast (usan/inn)

21. Orb1688251

22. Chembl5095423

23. Schembl20634304

24. Gtpl12173

25. Bdbm733146

26. Glxc-27711

27. Ex-a9807

28. Mfcd34579587

29. Us20250115591, Example 6

30. Da-57784

31. Ms-26540

32. Sy347075

33. Hy-132831

34. Cs-0204138

35. D12422

36. G18544

37. 4-piperidinesulfonamide,1-ethyl-n-[[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)amino]carbonyl]-

2.4 Create Date
2019-03-16
3 Chemical and Physical Properties
Molecular Weight 391.5 g/mol
Molecular Formula C20H29N3O3S
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area86.9
Heavy Atom Count27
Formal Charge0
Complexity619
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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