ChemicalBook--->CAS DataBase List--->1638178-87-6

1638178-87-6

1638178-87-6 Structure

1638178-87-6 Structure
IdentificationBack Directory
[Name]

ONC206
[CAS]

1638178-87-6
[Synonyms]

ONC206
TIC 260
ONC206; ONC-206; ONC 206.
Imidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(1H)-one, 4-[(2,4-difluorophenyl)methyl]-2,4,6,7,8,9-hexahydro-7-(phenylmethyl)-
[Molecular Formula]

C23H22F2N4O
[MOL File]

1638178-87-6.mol
[Molecular Weight]

408.44
Chemical PropertiesBack Directory
[Boiling point ]

545.8±60.0 °C(Predicted)
[density ]

1.36±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO: 100 mg/mL (244.83 mM)
[form ]

Solid
[pka]

6.21±0.20(Predicted)
[color ]

Off-white to light yellow
[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
[SMILES]

C12=NCCN1C1CCN(CC3=CC=CC=C3)CC=1C(=O)N2CC1=CC=C(F)C=C1F
Hazard InformationBack Directory
[Description]

ONC206 is a derivative of the TRAIL-inducing compound TIC10 (Item No. 16109) with anticancer activity.1 It induces surface expression of TNF-related apoptosis-inducing ligand (TRAIL), apoptosis, and cell cycle arrest at the G1 phase in HCT116 cells when used at a concentration of 0.05 µM. ONC206 is cytotoxic to six patient-derived diffuse intrinsic pontine glioma (DIPG) cell lines (IC50s = 0.05-0.173 µM).2WARNING This product is not for human or veterinary use.
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

ONC206(1638178-87-6)1HNMR
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