Mavacamten

Synopsis, Chemistry

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Also known as: Camzyos, 1642288-47-8, Mavacamten [inn], Mavacamten [usan], Mavacamten [who-dd], Myk-461

Molecular Formula

C₁₅H₁₉N₃O₂

Molecular Weight

273.33 g/mol

InChI Key

RLCLASQCAPXVLM-NSHDSACASA-N

FDA UNII

QX45B99R3J

Mavacamten is under investigation in clinical trial NCT03442764 (A Phase 2 Study of Mavacamten in Adults With Symptomatic Non-Obstructive Hypertrophic Cardiomyopathy (nHCM)).

1 2D Structure

Mavacamten

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-[[(1S)-1-phenylethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione

2.1.2 InChI

InChI=1S/C15H19N3O2/c1-10(2)18-14(19)9-13(17-15(18)20)16-11(3)12-7-5-4-6-8-12/h4-11,16H,1-3H3,(H,17,20)/t11-/m0/s1

2.1.3 InChI Key

RLCLASQCAPXVLM-NSHDSACASA-N

2.1.4 Canonical SMILES

CC(C)N1C(=O)C=C(NC1=O)NC(C)C2=CC=CC=C2

2.1.5 Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC2=CC(=O)N(C(=O)N2)C(C)C

2.2 Other Identifiers

2.2.1 UNII

QX45B99R3J

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Myk-461

2.3.2 Depositor-Supplied Synonyms

1. Camzyos

2. 1642288-47-8

3. Mavacamten [inn]

4. Mavacamten [usan]

5. Mavacamten [who-dd]

6. Myk-461

7. 6-[[(1s)-1-phenylethyl]amino]-3-propan-2-yl-1h-pyrimidine-2,4-dione

8. Qx45b99r3j

9. Sar-439152

10. (s)-3-isopropyl-6-((1-phenylethyl)amino)pyrimidine-2,4(1h,3h)-dione

11. Sar439152

12. 2,4(1h,3h)-pyrimidinedione, 3-(1-methylethyl)-6-(((1s)-1-phenylethyl)amino)-

13. 2,4(1h,3h)-pyrimidinedione, 3-(1-methylethyl)-6-[[(1s)-1-phenylethyl]amino]-

14. Mavacamten (myk-461)

15. Unii-qx45b99r3j

16. Myk461

17. Chembl4297517

18. Schembl16320785

19. Gtpl11265

20. Ex-a2072

21. Bdbm50575174

22. S8861

23. Who 10492

24. Db14921

25. Myk-461; Mavacamten; Sar439152

26. Sar-439152; Myk-461

27. Hy-109037

28. Cs-0031211

29. E83742

30. (s)-3-isopropyl-6-((1-phenylethyl)amino) Pyrimidine-2,4(1h,3h)-dione

31. (s)-3-isopropyl-6-((1-phenylethyl)amino)pyrimidine-2, 4(1h,3h)-dione

32. (s)-3-isopropyl-6-(1-phenylethylamino)pyrimidine-2,4(1h,3h)-dione

33. 3-(1-methylethyl)-6-[[(1s)-1-phenylethyl]amino]-2,4(1h,3h)-pyrimidinedione

34. 6-(((1s)-1-phenylethyl)amino)-3-(propan-2-yl)-1,2,3,4 Tetrahydropyrimidine-2,4-dione

35. 6-{[(1s)-1-phenylethyl]amino}-3-(propan-2-yl)pyrimidine-2,4(1h,3h)-dione

2.4 Create Date

2016-02-23

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₉N₃O₂
Molecular Weight	273.33 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	273.147726857 g/mol
Monoisotopic Mass	273.147726857 g/mol
Topological Polar Surface Area	61.4 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	411
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1