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Ribociclib

Synopsis, Chemistry

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Also known as: Lee011 succinate, 1374639-75-4, Lee-011 succinate, Lee011-bba, Ribociclib succinate [usan], Kisqali

Molecular Formula

C₂₇H₃₆N₈O₅

Molecular Weight

552.6 g/mol

InChI Key

NHANOMFABJQAAH-UHFFFAOYSA-N

FDA UNII

BG7HLX2919

1 2D Structure

Ribociclib

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

butanedioic acid;7-cyclopentyl-N,N-dimethyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

2.1.2 InChI

InChI=1S/C23H30N8O.C4H6O4/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30;5-3(6)1-2-4(7)8/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28);1-2H2,(H,5,6)(H,7,8)

2.1.3 InChI Key

NHANOMFABJQAAH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5.C(CC(=O)O)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

BG7HLX2919

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Kisqali

2. Lee011

3. Ribociclib

2.3.2 Depositor-Supplied Synonyms

1. Lee011 Succinate

2. 1374639-75-4

3. Lee-011 Succinate

4. Lee011-bba

5. Ribociclib Succinate [usan]

6. Kisqali

7. Lee-011-bba

8. Bg7hlx2919

9. 7-cyclopentyl-n,n-dimethyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)-7h-pyrrolo[2,3-d]pyrimidine-6-carboxamide Succinate

10. Butanedioic Acid;7-cyclopentyl-n,n-dimethyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

11. Ribociclib Succinate (usan)

12. Butanedioic Acid, Compd. With 7-cyclopentyl-n,n-dimethyl-2-((5-(1-piperazinyl)-2-pyridinyl)amino)-7h-pyrrolo(2,3-d)pyrimidine-6-carboxamide (1:1)

13. Butanedioic Acid, Compd. With 7-cyclopentyl-n,n-dimethyl-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]-7h-pyrrolo[2,3-d]pyrimidine-6-carboxamide (1:1)

14. Unii-bg7hlx2919

15. Kisqali (tn)

16. Lee011 (succinate)

17. Birociclib [who-dd]

18. Schembl2684999

19. Chembl3707266

20. Ribociclib Succinate [mi]

21. Dtxsid301027923

22. Amy25508

23. Bcp12715

24. Ex-a1586

25. Zec63975

26. Lee011 Succinatelee011 Succinate

27. Hy-15777b

28. S5188

29. Ribociclib Succinate [who-dd]

30. Sb18482

31. Ac-30654

32. As-75241

33. Ribociclib Succinate [orange Book]

34. D10979

35. Lee-011 Succinate Salt, Ribociclib Succinate Salt

36. J-007026

37. Q27274660

38. Kisqali Femara Co-pack Component Ribociclib Succinate

39. Ribociclib Succinate Component Of Kisqali Femara Co-pack

40. 7-cyclopentyl-n,n-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7h-pyrrolo[2,3-d]pyrimidine-6-carboxamide; Butanedioic Acid

2.4 Create Date

2012-06-20

3 Chemical and Physical Properties

Molecular Formula	C₂₇H₃₆N₈O₅
Molecular Weight	552.6 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	8
Exact Mass	552.28086628 g/mol
Monoisotopic Mass	552.28086628 g/mol
Topological Polar Surface Area	166 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	728
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	2

4 Drug and Medication Information

4.1 Drug Information

1 of 2
Drug Name	KISQALI
Active Ingredient	RIBOCICLIB SUCCINATE
Company	NOVARTIS PHARMS CORP (Application Number: N209092. Patents: 8324225, 8415355, 8685980, 8962630, 9193732, 9416136, 9868739)

2 of 2
Drug Name	KISQALI FEMARA CO-PACK (COPACKAGED)
Active Ingredient	LETROZOLE; RIBOCICLIB SUCCINATE
Company	NOVARTIS PHARMS CORP (Application Number: N209935. Patents: 8324225, 8415355, 8685980, 8962630, 9193732, 9416136, 9868739)

4.2 Drug Indication

Kisqali is indicated for the treatment of women with hormone receptor (HR)positive, human epidermal growth factor receptor 2 (HER2)negative locally advanced or metastatic breast cancer in combination with an aromatase inhibitor or fulvestrant as initial endocrine-based therapy, or in women who have received prior endocrine therapy.

In pre or perimenopausal women, the endocrine therapy should be combined with a luteinising hormonereleasing hormone (LHRH) agonist.

5 Pharmacology and Biochemistry

5.1 ATC Code

L01XE