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Also known as: Amg-232, 1352066-68-2, Amg 232, Amg232, Navtemadlin, Krt-232

Molecular Formula

C₂₈H₃₅Cl₂NO₅S

Molecular Weight

568.6 g/mol

InChI Key

DRLCSJFKKILATL-YWCVFVGNSA-N

FDA UNII

7R7G6EH5UL

Navtemadlin is an orally available inhibitor of MDM2 (murine double minute 2), with potential antineoplastic activity. Upon oral administration,navtemadlin binds to the MDM2 protein and prevents its binding to the transcriptional activation domain of the tumor suppressor protein p53. By preventing this MDM2-p53 interaction, the transcriptional activity of p53 is restored. This leads to p53-mediated induction of tumor cell apoptosis. MDM2, a zinc finger protein and a negative regulator of the p53 pathway, is overexpressed in cancer cells; it plays a key role in cancer cell proliferation and survival.

1 2D Structure

Navtemadlin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(2S)-3-methyl-1-propan-2-ylsulfonylbutan-2-yl]-2-oxopiperidin-3-yl]acetic acid

2.1.2 InChI

InChI=1S/C28H35Cl2NO5S/c1-17(2)24(16-37(35,36)18(3)4)31-26(19-9-11-21(29)12-10-19)23(20-7-6-8-22(30)13-20)14-28(5,27(31)34)15-25(32)33/h6-13,17-18,23-24,26H,14-16H2,1-5H3,(H,32,33)/t23-,24-,26-,28-/m1/s1

2.1.3 InChI Key

DRLCSJFKKILATL-YWCVFVGNSA-N

2.1.4 Canonical SMILES

CC(C)C(CS(=O)(=O)C(C)C)N1C(C(CC(C1=O)(C)CC(=O)O)C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)Cl

2.1.5 Isomeric SMILES

CC(C)[C@@H](CS(=O)(=O)C(C)C)N1[C@@H]([C@H](C[C@](C1=O)(C)CC(=O)O)C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)Cl

2.2 Other Identifiers

2.2.1 UNII

7R7G6EH5UL

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-(5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(1-(isopropylsulfonyl)-3-methylbutan-2-yl)-3-methyl-2-oxopiperidin-3-yl)acetic Acid

2. Amg 232

2.3.2 Depositor-Supplied Synonyms

1. Amg-232

2. 1352066-68-2

3. Amg 232

4. Amg232

5. Navtemadlin

6. Krt-232

7. Mdm2 Inhibitor Amg-232

8. Navtemadlin [usan]

9. 7r7g6eh5ul

10. Chembl3125702

11. 2-[(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(2s)-3-methyl-1-propan-2-ylsulfonylbutan-2-yl]-2-oxopiperidin-3-yl]acetic Acid

12. Navtemadlin [inn]

13. Unii-7r7g6eh5ul

14. Krt232

15. Schembl9993310

16. Amg 232 [who-dd]

17. Gtpl11133

18. Dtxsid101025652

19. Bdbm50448947

20. Nsc781515

21. Nsc789723

22. Who 11546

23. Zinc103248035

24. Compound 2 [pmid: 24456472]

25. Cs-3282

26. Db15299

27. Nsc-781515

28. Nsc-789723

29. Ncgc00387801-04

30. Ncgc00387801-05

31. Ac-29027

32. As-17007

33. Hy-12296

34. A910091

35. (3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-((1s)-2-methyl-1-(((1-methylethyl)sulfonyl)methyl)propyl)-2-oxo-3-piperidineacetic Acid

36. {(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3- Methyl-1-[(2s)-3-methyl-1-(propane-2-sulfonyl)butan2-yl]-2-oxopiperidin-3-yl}acetic Acid

37. 1447813-21-9

38. 3-iperidineacetic Acid, 5-(3-hlorophenyl)-6-(4-hlorophenyl)-3-ethyl-1-(1s)-2-ethyl-1-[(1-ethylethyl)ulfonyl]ethyl]ropyl]-2-xo-, (3r,5r,6s)-

39. 3-piperidineacetic Acid, 5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(1s)-2-methyl-1-[[(1-methylethyl)sulfonyl]methyl]propyl]-2-oxo-, (3r,5r,6s)-

2.4 Create Date

2012-08-19

3 Chemical and Physical Properties

Molecular Formula	C₂₈H₃₅Cl₂NO₅S
Molecular Weight	568.6 g/mol
XLogP3	5.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Exact Mass	567.1612998 g/mol
Monoisotopic Mass	567.1612998 g/mol
Topological Polar Surface Area	100 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	912
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