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Also known as: 2654081-35-1, Dcn5wen78t, N-ethyl-5-fluoro-2-[[5-[2-[(3r)-6-[2-methoxyethyl(methyl)amino]-2-methylhexan-3-yl]-2,7-diazaspiro[3.4]octan-7-yl]-1,2,4-triazin-6-yl]oxy]-n-propan-2-ylbenzamide, N-ethyl-5-fluoro-2-((5-(2-((3r)-6-(2-methoxyethyl(methyl)amino)-2-methylhexan-3-yl)-2,7-diazaspiro(3.4)octan-7-yl)-1,2,4-triazin-6-yl)oxy)-n-propan-2-ylbenzamide, Refchem:1080046, Menin-mll inhibitor 24

Molecular Formula

C₃₂H₅₀FN₇O₃

Molecular Weight

599.8 g/mol

InChI Key

PDUGAXSIWNMIBQ-HHHXNRCGSA-N

FDA UNII

DCN5WEN78T

Bleximenib is an orally bioavailable protein-protein interaction (PPI) inhibitor of the menin-mixed lineage leukemia (MLL; mixed-lineage leukemia 1; MLL1; myeloid/lymphoid leukemia; histone-lysine N-methyltransferase 2A; KMT2A) proteins, with potential antineoplastic activity. Upon oral administration, bleximenib inhibits the interaction between the two proteins menin and MLL and the formation of the menin-MLL complex. This reduces the expression of downstream target genes and results in an inhibition of the proliferation of leukemic cells with either KMT2A alterations such as gene rearrangements (KMT2A-r), duplications, and amplification, or nucleophosmin 1 gene (NPM1) alterations. The menin-MLL complex plays a key role in the survival, growth, transformation and proliferation of certain kinds of leukemia cells.

1 2D Structure

Bleximenib

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-ethyl-5-fluoro-2-[[5-[2-[(3R)-6-[2-methoxyethyl(methyl)amino]-2-methylhexan-3-yl]-2,7-diazaspiro[3.4]octan-7-yl]-1,2,4-triazin-6-yl]oxy]-N-propan-2-ylbenzamide

2.1.2 InChI

InChI=1S/C32H50FN7O3/c1-8-40(24(4)5)31(41)26-18-25(33)11-12-28(26)43-30-29(34-22-35-36-30)38-15-13-32(19-38)20-39(21-32)27(23(2)3)10-9-14-37(6)16-17-42-7/h11-12,18,22-24,27H,8-10,13-17,19-21H2,1-7H3/t27-/m1/s1

2.1.3 InChI Key

PDUGAXSIWNMIBQ-HHHXNRCGSA-N

2.2 Other Identifiers

2.2.1 UNII

DCN5WEN78T

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2654081-35-1

2. Dcn5wen78t

3. N-ethyl-5-fluoro-2-[[5-[2-[(3r)-6-[2-methoxyethyl(methyl)amino]-2-methylhexan-3-yl]-2,7-diazaspiro[3.4]octan-7-yl]-1,2,4-triazin-6-yl]oxy]-n-propan-2-ylbenzamide

4. N-ethyl-5-fluoro-2-((5-(2-((3r)-6-(2-methoxyethyl(methyl)amino)-2-methylhexan-3-yl)-2,7-diazaspiro(3.4)octan-7-yl)-1,2,4-triazin-6-yl)oxy)-n-propan-2-ylbenzamide

5. Refchem:1080046

6. Menin-mll Inhibitor 24

7. Bleximenib [inn]

8. Chembl5314509

9. Schembl23529638

10. Schembl30128634

11. Ex-a8746a

12. Gtpl12866

13. Bdbm689589

14. Bdbm689590

15. Compound A [wo2022237720]

16. Us20240261292, Compound A1

17. Us20240261292, Compound A3

18. Jnj75276617

19. Da-55335

20. Jnj-75276617

21. Hy-148669

22. Cs-0636752

23. Benzamide, N-ethyl-5-fluoro-2-[[5-[2-[(1r)-4-[(2-methoxyethyl)methylamino]-1-(1-methylethyl)butyl]-2,6-diazaspiro[3.4]oct-6-yl]-1,2,4-triazin-6-yl]oxy]-n-(1-methylethyl)-

24. N-ethyl-5-fluoro-2-{[5-(2-{(3r)-6-[(2-methoxyethyl)(methyl)amino]-2-methylhexan-3-yl}-2,6-diazaspiro[3.4]octan-6-yl)-1,2,4-triazin-6-yl]oxy}-n-(propan-2-yl)benzamide

2.4 Create Date

2021-08-21

3 Chemical and Physical Properties

Molecular Formula	C₃₂H₅₀FN₇O₃
Molecular Weight	599.8 g/mol
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	15
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	87.2
Heavy Atom Count	43
Formal Charge	0
Complexity	861
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

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