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Bleximenib

CAT: 0013-GTR19277529-03Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19277529-03Size:1 ml x 10 mM (in DMSO)
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Description
Bleximenib (JNJ-75276617) oxalate is an orally active and highly selective menin–KMT2A interaction inhibitor, with IC50 values of 0.1 nM in humans, 0.045 nM in mice, and ≤0.066 nM in dogs, Bleximenib effectively suppresses tumor cell proliferation while inducing apoptosis and cellular differentiation. Bleximenib serves as a powerful investigational agent for leukemia and other KMT2A-driven malignancies in preclinical cancer research.
CAS Number
2654081-35-1
Smiles
[C@@H] (CCCN (CCOC) C) (C (C) C) N1CC2 (CN (CC2) C=3C (OC4=C (C (N (C (C) C) CC) =O) C=C (F) C=C4) =NN=CN3) C1
Molecular Formula
C32H50FN7O3
Molecular Weight
599.8
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bleximenib

Bleximenib is under investigation in clinical trials NCT04811560 (A Phase 1/2 Study of Bleximenib in Participants With Acute Leukemia) and NCT05453903 (A Study of Bleximenib in Combination With Acute Myeloid Leukemia (AML) Directed Therapies)

CAS Number2654081-35-1
PubChem CID156498110
IUPAC NameN-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
Molecular FormulaC32H50FN7O3
Molecular Weight599.8
XLogP4.3
Topological Polar Surface Area87.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count15
Heavy Atom Count43
Formal Charge0
Complexity861
SMILES
CCN(C(C)C)C(=O)C1=C(C=CC(=C1)F)OC2=C(N=CN=N2)N3CCC4(C3)CN(C4)[C@H](CCCN(C)CCOC)C(C)C
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
InChIKey
PDUGAXSIWNMIBQ-HHHXNRCGSA-N
Chemical Structure
2D Structure
2D structure of Bleximenib
CAS: 2654081-35-1
CID: 156498110
Formula: C32H50FN7O3
MW: 599.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight599.8
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count15
Exact Mass599.39591664
Monoisotopic Mass599.39591664
Topological Polar Surface Area87.2 Ų
Heavy Atom Count43
Formal Charge0
Complexity861
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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