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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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Chemistry

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Also known as: 927961-18-0, Iva-337, Iva337, 28q8ag0pyl, Chembl4091374, Cpd1537

Molecular Formula

C₁₉H₁₅ClN₂O₄S₂

Molecular Weight

434.9 g/mol

InChI Key

OQDQIFQRNZIEEJ-UHFFFAOYSA-N

FDA UNII

28Q8AG0PYL

Lanifibranor is under investigation in clinical trial NCT03008070 (Phase 2b Study in NASH to Assess IVA337).

1 2D Structure

Lanifibranor

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloroindol-2-yl]butanoic acid

2.1.2 InChI

InChI=1S/C19H15ClN2O4S2/c20-13-4-7-17-12(8-13)9-14(2-1-3-19(23)24)22(17)28(25,26)15-5-6-16-18(10-15)27-11-21-16/h4-11H,1-3H2,(H,23,24)

2.1.3 InChI Key

OQDQIFQRNZIEEJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC2=C(C=C1S(=O)(=O)N3C4=C(C=C(C=C4)Cl)C=C3CCCC(=O)O)SC=N2

2.2 Other Identifiers

2.2.1 UNII

28Q8AG0PYL

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Iva337

2.3.2 Depositor-Supplied Synonyms

1. 927961-18-0

2. Iva-337

3. Iva337

4. 28q8ag0pyl

5. Chembl4091374

6. Cpd1537

7. 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloroindol-2-yl]butanoic Acid

8. 1h-indole-2-butanoic Acid, 1-(6-benzothiazolylsulfonyl)-5-chloro-

9. 5-chloro-1-((6-benzothiazolyl)sulfonyl)-1h-indole-2-butanoic Acid

10. 4-(1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl)butanoic Acid

11. 4-(1-(benzo[d]thiazol-6-ylsulfonyl)-5-chloro-1h-indol-2-yl)butanoic Acid

12. 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic Acid

13. Lanifbranor

14. Libfranor

15. Lanifbranor [inn]

16. Lanifibranor(iva-337)

17. Lanifibranor [inn]

18. Unii-28q8ag0pyl

19. Lanifibranor [who-dd]

20. Schembl3528615

21. Amy16813

22. Cmb96118

23. Ex-a1511

24. Bdbm50244350

25. S8770

26. Akos037649312

27. Db14801

28. Sb18746

29. Ac-31451

30. Bs-17993

31. Hy-104049

32. Cs-0027586

33. A903382

34. Q27896056

35. 1-(6-benzothiazolylsulfonyl)-5-chloro-1h-indole-2-butanoic Acid

36. Bjb

37. Iva-337; Iva 337;4-(1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl)butanoic Acid;iva-337

2.4 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₁₅ClN₂O₄S₂
Molecular Weight	434.9 g/mol
XLogP3	4.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	434.0161770 g/mol
Monoisotopic Mass	434.0161770 g/mol
Topological Polar Surface Area	126 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	686
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	1