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BET-IN-20

CAT: 0013-GTR19235551-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19235551-01Size:25 mg
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Description
BET-IN-20 is a potent and selective BRD4 BD1 inhibitor (IC50=1.9 nM) with anticancer activity. It induces apoptosis and G0/G1 cell cycle arrest in AML cells by suppressing c-Myc and CDK6, while enhancing PARP cleavage, as demonstrated in vitro.
CAS Number
1300735-76-5
Field of Research
Cell Biology, Epigenetics & Chromatin
Smiles
[C@H] (C) (N1C=2C=3C (=CC (=C (OC) C3) C=4C (C) =NOC4C) N=CC2N=C1C) C5=CC=CC=C5
Molecular Formula
C25H24N4O2
Molecular Weight
412.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bet-IN-20
CAS Number1300735-76-5
PubChem CID70664192
IUPAC Name4-[8-methoxy-2-methyl-1-[(1R)-1-phenylethyl]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
Molecular FormulaC25H24N4O2
Molecular Weight412.5
XLogP4.9
Topological Polar Surface Area66
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity614
SMILES
CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)N=CC4=C3N(C(=N4)C)[C@H](C)C5=CC=CC=C5)OC
InChI
InChI=1S/C25H24N4O2/c1-14-24(16(3)31-28-14)20-11-21-19(12-23(20)30-5)25-22(13-26-21)27-17(4)29(25)15(2)18-9-7-6-8-10-18/h6-13,15H,1-5H3/t15-/m1/s1
InChIKey
LJVBCQJBIHMYGJ-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of Bet-IN-20
CAS: 1300735-76-5
CID: 70664192
Formula: C25H24N4O2
MW: 412.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.5
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass412.18992602
Monoisotopic Mass412.18992602
Topological Polar Surface Area66 Ų
Heavy Atom Count31
Formal Charge0
Complexity614
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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