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KB-0118

CAT: 0013-GTR19263595-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19263595-01Size:50 mg
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Description
KB-0118 (BBC0115) is an inhibitor targeting the BET bromodomain. It selectively binds to BRD2 and BRD4, with dissociation constants (Kd) of 36.7 μM for BRD2 BD1 and 47.4 μM for BRD4 BD1, while not binding to BRD3. KB-0118 suppresses the secretion of pro-inflammatory cytokines such as TNF, IL-1β, and IL-23a, and selectively inhibits Th17 cell differentiation. The compound regulates Th17-driven inflammation through the epigenetic suppression of BRD4, as evidenced by the downregulation of STAT3 and BRD4 target genes. Additionally, KB-0118 exhibits immunomodulatory effects in inflammatory bowel disease (IBD) models.
CAS Number
2648377-08-4
Field of Research
Epigenetics & Chromatin, Immunology & Inflammation, Signal Transduction, Stem Cell & Developmental Biology
Smiles
O=C1C (O) =C (OC=2C=C (O) C=C (O) C12) C=3C=CC=4C=CNC4C3
Molecular Formula
C17H11NO5
Molecular Weight
309.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3,5,7-Trihydroxy-2-(1H-indol-6-yl)-4H-chromen-4-one
CAS Number2648377-08-4
PubChem CID156415285
IUPAC Name3,5,7-trihydroxy-2-(1H-indol-6-yl)chromen-4-one
Molecular FormulaC17H11NO5
Molecular Weight309.27
XLogP2.4
Topological Polar Surface Area103
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity533
SMILES
C1=CC(=CC2=C1C=CN2)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)O
InChI
InChI=1S/C17H11NO5/c19-10-6-12(20)14-13(7-10)23-17(16(22)15(14)21)9-2-1-8-3-4-18-11(8)5-9/h1-7,18-20,22H
InChIKey
SWNCQOAQTWQJDR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5,7-Trihydroxy-2-(1H-indol-6-yl)-4H-chromen-4-one
CAS: 2648377-08-4
CID: 156415285
Formula: C17H11NO5
MW: 309.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight309.27
XLogP32.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass309.06372245
Monoisotopic Mass309.06372245
Topological Polar Surface Area103 Ų
Heavy Atom Count23
Formal Charge0
Complexity533
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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