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Also known as: Sel24-b489, Sel-24 free base, 9m7x64vtli, Sel24-b289, 1616359-00-2, 1h-benzimidazole, 5,6-dibromo-1-(1-methylethyl)-4-nitro-2-(4-piperidinyl)-

Molecular Formula

C₁₅H₁₈Br₂N₄O₂

Molecular Weight

446.14 g/mol

InChI Key

UOUBCIJIWDLRGM-UHFFFAOYSA-N

FDA UNII

9M7X64VTLI

PIM/FLT3 Kinase Inhibitor SEL24 is an orally available inhibitor of PIM family serine/threonine protein kinases and mutant forms of FMS-related tyrosine kinase 3 (FLT3; STK1) with potential antineoplastic activity. PIM/FLT3 kinase inhibitor SEL24 binds to and inhibits the kinase activities of PIM-1, -2 and -3, and mutant forms of FLT3, which may result in the interruption of the G1/S phase cell cycle transition, an inhibition of cell proliferation, and an induction of apoptosis in tumor cells that overexpress PIMs or express mutant forms of FLT3. FLT3, a tyrosine kinase receptor that is overexpressed or mutated in various cancers, plays a role in signaling pathways that regulate hematopoietic progenitor cell proliferation, and in leukemic cell proliferation and survival. PIM kinases, downstream effectors of many cytokine and growth factor signaling pathways, including the FLT3 signaling pathway, play key roles in cell cycle progression and apoptosis inhibition and may be overexpressed in various malignancies.

1 2D Structure

MEN1703

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5,6-dibromo-4-nitro-2-piperidin-4-yl-1-propan-2-ylbenzimidazole

2.1.2 InChI

InChI=1S/C15H18Br2N4O2/c1-8(2)20-11-7-10(16)12(17)14(21(22)23)13(11)19-15(20)9-3-5-18-6-4-9/h7-9,18H,3-6H2,1-2H3

2.1.3 InChI Key

UOUBCIJIWDLRGM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)N1C2=CC(=C(C(=C2N=C1C3CCNCC3)[N+](=O)[O-])Br)Br

2.2 Other Identifiers

2.2.1 UNII

9M7X64VTLI

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Sel24-b489

2. Sel-24 Free Base

3. 9m7x64vtli

4. Sel24-b289

5. 1616359-00-2

6. 1h-benzimidazole, 5,6-dibromo-1-(1-methylethyl)-4-nitro-2-(4-piperidinyl)-

7. 5,6-dibromo-1-(1-methylethyl)-4-nitro-2-(4-piperidinyl)-1h-benzimidazole

8. 5,6-dibromo-4-nitro-2-(piperidin-4-yl)-1-(propan-2-yl)-1h-1,3-benzimidazole

9. Unii-9m7x64vtli

10. Chembl4467168

11. Schembl15826208

12. Hy-120758

13. Cs-0079085

2.4 Create Date

2014-07-28

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₈Br₂N₄O₂
Molecular Weight	446.14 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	445.97760 g/mol
Monoisotopic Mass	443.97965 g/mol
Topological Polar Surface Area	75.7 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	442
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