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2D Structure
Also known as: Dcc-3014, 1628606-05-2, Vimseltinib [inn], Vimseltinib [usan], Px9ftm69bf, Dcc3014
Molecular Formula
C23H25N7O2
Molecular Weight
431.5  g/mol
InChI Key
TVGAHWWPABTBCX-UHFFFAOYSA-N
FDA UNII
PX9FTM69BF

Vimseltinib is an orally bioavailable inhibitor of the tyrosine kinase receptor colony stimulating factor 1 receptor (CSF1R; CSF-1R; C-FMS; CD115; M-CSFR), with potential antineoplastic, macrophage checkpoint-inhibitory and immunomodulating activities. Upon administration, vimseltinib targets and binds to CSF1R expressed on monocytes, macrophages, and osteoclasts and inhibits the binding of the CSF1R ligands colony-stimulating factor-1 (CSF-1) and interleukin-34 (IL-34), to CSF1R. This prevents CSF1R activation and CSF1R-mediated signaling in these cells. This blocks the production of inflammatory mediators by macrophages and monocytes and reduces inflammation. By blocking the recruitment to the tumor microenvironment (TME) and activity of CSF1R-dependent tumor-associated macrophages (TAMs), vimseltinib inhibits the immunomodulating activity by macrophages and enhances T-cell infiltration and anti-tumor T-cell immune responses, which inhibits the proliferation of tumor cells. TAMs play key roles in the TME and allow for immune suppression; TAMs promote inflammation, tumor cell proliferation, angiogenesis, invasiveness and survival.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-methyl-5-[6-methyl-5-[2-(1-methylpyrazol-4-yl)pyridin-4-yl]oxypyridin-2-yl]-2-(propan-2-ylamino)pyrimidin-4-one
2.1.2 InChI
InChI=1S/C23H25N7O2/c1-14(2)27-23-25-12-18(22(31)30(23)5)19-6-7-21(15(3)28-19)32-17-8-9-24-20(10-17)16-11-26-29(4)13-16/h6-14H,1-5H3,(H,25,27)
2.1.3 InChI Key
TVGAHWWPABTBCX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C=CC(=N1)C2=CN=C(N(C2=O)C)NC(C)C)OC3=CC(=NC=C3)C4=CN(N=C4)C
2.2 Other Identifiers
2.2.1 UNII
PX9FTM69BF
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Dcc-3014

2. 1628606-05-2

3. Vimseltinib [inn]

4. Vimseltinib [usan]

5. Px9ftm69bf

6. Dcc3014

7. 2-(isopropylamino)-3-methyl-5-(6-methyl-5-((2-(1-methyl-1h-pyrazol-4-yl)pyridin-4-yl)oxy)pyridin-2-yl)pyrimidin-4(3h)-one

8. 3-methyl-5-[6-methyl-5-[2-(1-methylpyrazol-4-yl)pyridin-4-yl]oxypyridin-2-yl]-2-(propan-2-ylamino)pyrimidin-4-one

9. Dp-6865

10. 3-methyl-2-((1-methylethyl)amino)-5-(6-methyl-5-((2-(1-methyl-1h-pyrazol-4-yl)-4-pyridinyl)oxy)-2-pyridinyl)-4(3h)-pyrimidinone

11. 4(3h)-pyrimidinone, 3-methyl-2-((1-methylethyl)amino)-5-(6-methyl-5-((2-(1-methyl-1h-pyrazol-4-yl)-4-pyridinyl)oxy)-2-pyridinyl)-

12. Unii-px9ftm69bf

13. Vimseltinib [who-dd]

14. Schembl16047448

15. Gtpl11190

16. Ex-a4700

17. Nsc828316

18. Who 11443

19. Nsc-828316

20. Example 10 [wo2014145025a2]

21. Hy-136256

22. Cs-0121044

23. 3-methyl-5-(6-methyl-5-{[2-(1-methyl-1h-pyrazol-4-yl)pyridin-4-yl]oxy}pyridin-2-yl)-2-[(propan-2-yl)amino]pyrimidin-4(3h)-one

24. Z6v

2.4 Create Date
2014-11-10
3 Chemical and Physical Properties
Molecular Weight 431.5 g/mol
Molecular Formula C23H25N7O2
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass431.20697307 g/mol
Monoisotopic Mass431.20697307 g/mol
Topological Polar Surface Area97.5 Ų
Heavy Atom Count32
Formal Charge0
Complexity740
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1