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BET-IN-23

CAT: 0013-GTR19235550-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19235550-01Size:25 mg
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Description
BET-IN-23 is a potent and selective BD2-targeting BET inhibitor (IC50 = 2.9 nM) . It demonstrates anti-leukemic activity in vitro by suppressing AML cell proliferation, inducing cell cycle arrest and apoptosis. Its research applications include epigenetic and cancer biology studies, with potential for in vivo efficacy investigation.
CAS Number
2953287-57-3
Field of Research
Cell Biology, Epigenetics & Chromatin
Smiles
O (C1=C (C=C (C (C) (C) O) C=C1) C=2C (NCC (=O) N3CCOCC3) =CC (=O) N (C) C2) C4=C (C) C=C (F) C=C4C
Molecular Formula
C29H34FN3O5
Molecular Weight
523.60
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bet-IN-23
CAS Number2953287-57-3
PubChem CID169552829
IUPAC Name5-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-1-methyl-4-[(2-morpholin-4-yl-2-oxoethyl)amino]pyridin-2-one
Molecular FormulaC29H34FN3O5
Molecular Weight523.6
XLogP2.5
Topological Polar Surface Area91.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count38
Formal Charge0
Complexity919
SMILES
CC1=CC(=CC(=C1OC2=C(C=C(C=C2)C(C)(C)O)C3=CN(C(=O)C=C3NCC(=O)N4CCOCC4)C)C)F
InChI
InChI=1S/C29H34FN3O5/c1-18-12-21(30)13-19(2)28(18)38-25-7-6-20(29(3,4)36)14-22(25)23-17-32(5)26(34)15-24(23)31-16-27(35)33-8-10-37-11-9-33/h6-7,12-15,17,31,36H,8-11,16H2,1-5H3
InChIKey
LOOFPBVYOVHBCL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bet-IN-23
CAS: 2953287-57-3
CID: 169552829
Formula: C29H34FN3O5
MW: 523.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight523.6
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass523.24824936
Monoisotopic Mass523.24824936
Topological Polar Surface Area91.3 Ų
Heavy Atom Count38
Formal Charge0
Complexity919
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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