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BRD4 Inhibitor-15

CAT: 0804-HY-143235Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-143235Size:1 Each
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Description
BRD4 Inhibitor-15 (compound 13) is a potent BRD4 inhibitor, with an IC50 of 18 nM. BRD4 Inhibitor-15 induces apoptosis of 22RV1 cells by regulating Bcl-2/Bax proteins and activating caspase-3 signaling pathway. BRD4 Inhibitor-15 down-regulates the c-Myc level in 22RV1 cells. BRD4 Inhibitor-15 can be used for prostate cancer research[1].
CAS Number
2761366-60-1
UNSPSC
12352005
Target
Apoptosis; Bcl-2 Family; Caspase; c-Myc; Epigenetic Reader Domain
Type
Reference compound
Related Pathways
Apoptosis; Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/brd4-inhibitor-15.html
Solubility
10 mM in DMSO
Smiles
CCOC1=CC(N(C=C1C2=CC3=C(C=NN3CC4=CC=CC=C4)C=C2)C)=O
Molecular Formula
C22H21N3O2
Molecular Weight
359.42
References & Citations
[1]Jiang W, et al. Design, synthesis, and evaluation of novel pyridone derivatives as potent BRD4 inhibitors for the potential treatment of prostate cancer. Bioorg Chem. 2022 Feb;119:105575.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Bax; Bcl-2; BRD4; Caspase 3

Chemical Information

BRD4 Inhibitor-15
CAS Number2761366-60-1
PubChem CID162720555
IUPAC Name5-(1-benzylindazol-6-yl)-4-ethoxy-1-methylpyridin-2-one
Molecular FormulaC22H21N3O2
Molecular Weight359.4
XLogP2.9
Topological Polar Surface Area47.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity609
SMILES
CCOC1=CC(=O)N(C=C1C2=CC3=C(C=C2)C=NN3CC4=CC=CC=C4)C
InChI
InChI=1S/C22H21N3O2/c1-3-27-21-12-22(26)24(2)15-19(21)17-9-10-18-13-23-25(20(18)11-17)14-16-7-5-4-6-8-16/h4-13,15H,3,14H2,1-2H3
InChIKey
GWTFQNZDRCSCTL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BRD4 Inhibitor-15
CAS: 2761366-60-1
CID: 162720555
Formula: C22H21N3O2
MW: 359.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight359.4
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass359.16337692
Monoisotopic Mass359.16337692
Topological Polar Surface Area47.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity609
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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