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ONC206

CAT: 0931-T16392-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T16392-01Size:2 mg
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CAS Number
1638178-87-6
Target
Dopamine Receptor
Related Pathways
GPCR/G Protein, Neuroscience
Purity
0.9993
Bioactivity
ONC206, an analogue of the TRAIL inducer ONC201, acts as a selective antagonist of the D2-like dopamine receptors (DRD2/3/4) at nanomolar concentrations and possesses broad-spectrum anti-tumor activity.
Smiles
Fc1ccc(CN2C3=NCCN3C3=C(CN(Cc4ccccc4)CC3)C2=O)c(F)c1
Molecular Formula
C23H22F2N4O
Molecular Weight
408.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Onc-206

DRD2 Antagonist/ClpP Agonist ONC206 is an orally bioavailable, selective bitopic dopamine receptor D2 (DRD2) antagonist and mitochondrial caseinolytic protease P (ClpP) agonist, with potential antineoplastic activity. Upon administration, DRD2 antagonist/ClpP agonist ONC206 targets, binds to and inhibits the activity of DRD2. This may inactivate Akt (protein kinase B) and extracellular signal-regulated kinase (ERK), which may result in inhibition of the phosphatidylinositol 3-kinase (PI3K)/Akt signal transduction pathway as well as the mitogen-activated protein kinase (MAPK)/ERK-mediated pathway. This may lead to the induction of tumor cell apoptosis mediated by tumor necrosis factor (TNF)-related apoptosis-inducing ligand (TRAIL)/death receptor type 5 (DR5; TRAIL receptor 2) signaling in tumor cells. In addition, ONC206 targets and binds to ClpP and induces proteolysis. This may disrupt mitochondrial structure and function in tumor cells and lead to tumor cell death. DRD2, a G protein-coupled receptor (GPCR), is overexpressed in various malignancies. It is activated by dopamine produced by the tumor cells or present in the tumor microenvironment (TME) and plays an important role in the pro-survival and stress signaling pathways. ONC206 is able to cross the blood-brain barrier (BBB).

CAS Number1638178-87-6
PubChem CID135297777
IUPAC Name11-benzyl-7-[(2,4-difluorophenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5-dien-8-one
Molecular FormulaC23H22F2N4O
Molecular Weight408.4
XLogP2.2
Topological Polar Surface Area39.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity733
SMILES
C1CN(CC2=C1N3CCN=C3N(C2=O)CC4=C(C=C(C=C4)F)F)CC5=CC=CC=C5
InChI
InChI=1S/C23H22F2N4O/c24-18-7-6-17(20(25)12-18)14-29-22(30)19-15-27(13-16-4-2-1-3-5-16)10-8-21(19)28-11-9-26-23(28)29/h1-7,12H,8-11,13-15H2
InChIKey
ITMGVSSHWMTJRR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Onc-206
CAS: 1638178-87-6
CID: 135297777
Formula: C23H22F2N4O
MW: 408.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.4
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass408.17616766
Monoisotopic Mass408.17616766
Topological Polar Surface Area39.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity733
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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