Also known as: 1446113-23-0, 31m3wlj3kg, 4-amino-n-(1-((3-chloro-2-fluorophenyl)amino)-6-methylisoquinolin-5-yl)thieno[3,2-d]pyrimidine-7-carboxamide, Gdc-5573, 4-amino-n-[1-(3-chloro-2-fluoroanilino)-6-methylisoquinolin-5-yl]thieno[3,2-d]pyrimidine-7-carboxamide, Hm95573

Molecular Formula

C₂₃H₁₆ClFN₆OS

Molecular Weight

478.9 g/mol

InChI Key

KVCQTKNUUQOELD-UHFFFAOYSA-N

FDA UNII

31M3WLJ3KG

Belvarafenib is an orally available inhibitor of members of the Raf family of serine/threonine protein kinases, with potential antineoplastic activity. Upon administration, belvarafenib binds to and inhibits the B-Raf mutant V600E and C-Raf. This inhibits B-Raf V600E- and C-Raf-mediated signal transduction pathways, thereby inhibiting tumor cell growth of susceptible tumor cells. In addition, belvarafenib may also inhibit mutated Ras proteins. Raf protein kinases play a key role in the Raf/mitogen-activated protein kinase kinase (MEK)/extracellular signal-related kinase (ERK) signaling pathway, which is often dysregulated in human cancers and plays a key role in tumor cell proliferation and survival. The Raf mutation B-Raf V600E, where the valine at residue 600 is substituted for glutamic acid, is frequently overexpressed in a variety of human tumors and results in the constitutive activation of the Raf/MEK/ERK signaling pathway.

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-amino-N-[1-(3-chloro-2-fluoroanilino)-6-methylisoquinolin-5-yl]thieno[3,2-d]pyrimidine-7-carboxamide

2.1.2 InChI

InChI=1S/C23H16ClFN6OS/c1-11-5-6-13-12(7-8-27-22(13)30-16-4-2-3-15(24)17(16)25)18(11)31-23(32)14-9-33-20-19(14)28-10-29-21(20)26/h2-10H,1H3,(H,27,30)(H,31,32)(H2,26,28,29)

2.1.3 InChI Key

KVCQTKNUUQOELD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C2=C(C=C1)C(=NC=C2)NC3=C(C(=CC=C3)Cl)F)NC(=O)C4=CSC5=C4N=CN=C5N

2.2 Other Identifiers

2.2.1 UNII

31M3WLJ3KG

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1446113-23-0

2. 31m3wlj3kg

3. 4-amino-n-(1-((3-chloro-2-fluorophenyl)amino)-6-methylisoquinolin-5-yl)thieno[3,2-d]pyrimidine-7-carboxamide

4. Gdc-5573

5. 4-amino-n-[1-(3-chloro-2-fluoroanilino)-6-methylisoquinolin-5-yl]thieno[3,2-d]pyrimidine-7-carboxamide

6. Hm95573

7. 4-amino-n-{1-[(3-chloro-2-fluorophenyl)amino]-6-methylisoquinolin-5-yl}thieno[3,2-d]pyrimidine-7-carboxamide

8. 4-amino-n-(1-((3-chloro-2-fluorophenyl)amino)-6-methylisoquinolin-5-yl)thieno(3,2-d)pyrimidine-7-carboxamide

9. Belvarafenib [inn]

10. Unii-31m3wlj3kg

11. Belvarafenib [who-dd]

12. Chembl3977543

13. Schembl15066408

14. Gtpl11544

15. Bdbm185591

16. Bcp31233

17. Ex-a3061

18. Whc11323

19. S8853

20. Akos037648828

21. Ac-36878

22. Bs-15746

23. Example 116 [wo2013100632a1]

24. Hy-109080

25. Cs-0039257

26. D81081

27. Belvarafenib(gdc5573, Hm95573, Rg6185)

28. A930123

29. Us9156852, 116

30. 4-amino-n-(1-(3-chloro-2-fluorophenylamino)-6-methylisoquinolin-5-yl)thieno[3,2-d]pyrimidine-7-carboxamide

31. Thieno(3,2-d)pyrimidine-7-carboxamide, 4-amino-n-(1-((3-chloro-2-fluorophenyl)amino)-6-methyl-5-isoquinolinyl)-

32. V1y

2.4 Create Date

2015-02-13

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₁₆ClFN₆OS
Molecular Weight	478.9 g/mol
XLogP3	4.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	478.0778862 g/mol
Monoisotopic Mass	478.0778862 g/mol
Topological Polar Surface Area	134 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	708
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

Belvarafenib

Belvarafenib

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