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Also known as: Amg-650, 2410796-79-9, Amg 650 [who-dd], Op393m4h32, Benzamide, 2-(6-azaspiro(2.5)oct-6-yl)-n-(2-(4,4-difluoro-1-piperidinyl)-6-methyl-4-pyrimidinyl)-4-(((2-hydroxyethyl)sulfonyl)amino)-, Unii-op393m4h32

Molecular Formula

C₂₆H₃₄F₂N₆O₄S

Molecular Weight

564.6 g/mol

InChI Key

KBDGEJDIHZDPHN-UHFFFAOYSA-N

FDA UNII

OP393M4H32

Sovilnesib is an orally bioavailable, small-molecule inhibitor of the human kinesin-like protein KIF18A, with potential antineoplastic activity. Upon oral administration, sovilnesib selectively inhibits the activity of KIF18A. This may result in multipolar cell division and inhibit tumor cell proliferation. KIF18A, a mitotic kinesin-8 motor protein, plays an important role in the regulation of chromosome positioning during cell division and is overexpressed in certain cancers. Certain cancer cells with chromosomal instability (CIN) features depend on KIF18A activity for bipolar spindle integrity and cell proliferation.

1 2D Structure

Sovilnesib

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-4-(2-hydroxyethylsulfonylamino)benzamide

2.1.2 InChI

InChI=1S/C26H34F2N6O4S/c1-18-16-22(31-24(29-18)34-12-8-26(27,28)9-13-34)30-23(36)20-3-2-19(32-39(37,38)15-14-35)17-21(20)33-10-6-25(4-5-25)7-11-33/h2-3,16-17,32,35H,4-15H2,1H3,(H,29,30,31,36)

2.1.3 InChI Key

KBDGEJDIHZDPHN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=NC(=N1)N2CCC(CC2)(F)F)NC(=O)C3=C(C=C(C=C3)NS(=O)(=O)CCO)N4CCC5(CC5)CC4

2.2 Other Identifiers

2.2.1 UNII

OP393M4H32

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Amg-650

2. 2410796-79-9

3. Amg 650 [who-dd]

4. Op393m4h32

5. Benzamide, 2-(6-azaspiro(2.5)oct-6-yl)-n-(2-(4,4-difluoro-1-piperidinyl)-6-methyl-4-pyrimidinyl)-4-(((2-hydroxyethyl)sulfonyl)amino)-

6. Unii-op393m4h32

7. Chembl5084301

8. Schembl22119383

9. Us11236069, Example 4

10. Bdbm535532

11. Ex-a6760

12. Us11236069, Example 15

13. Nsc839866

14. Nsc-839866

15. Hy-132840

16. Cs-0204143

17. 2-(6-azaspiro[2.5]octan-6-yl)-n-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-4-(2-hydroxyethylsulfonylamino)benzamide

18. N-(2-(4,4-difluoropiperidin-1-yl)-6- Methylpyrimidin-4-yl)-4-((2- Hydroxyethyl)sulfonamido)-2-(6- Azaspiro[2.5]octan-6-yl)benzamide

2.4 Create Date

2020-08-12

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₃₄F₂N₆O₄S
Molecular Weight	564.6 g/mol
XLogP3	3.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	8
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	136
Heavy Atom Count	39
Formal Charge	0
Complexity	958
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