ChemicalBook--->CAS DataBase List--->315694-89-4

315694-89-4

315694-89-4 Structure

315694-89-4 Structure
IdentificationBack Directory
[Name]

TC-DAPK 6
[CAS]

315694-89-4
[Synonyms]

CS-1003
TC-DAPK 6
DAPK inhibitor
TCDAPK6;DAPK INHIBITOR
2-(2-Phenylethenyl)-4-(3-pyridinylmethylene)-5(4H)-oxazolone
5(4H)-Oxazolone, 2-(2-phenylethenyl)-4-(3-pyridinylmethylene)-
(4E)-2-[(E)-2-phenylethenyl]-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one
2-(2-Phenylethenyl)-4-(3-pyridinylmethylene)-5(4H)-oxazolone TC-DAPK 6
[Molecular Formula]

C17H12N2O2
[MDL Number]

MFCD07278745
[MOL File]

315694-89-4.mol
[Molecular Weight]

276.29
Chemical PropertiesBack Directory
[Boiling point ]

439.6±55.0 °C(Predicted)
[density ]

1.18±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO : 18.67 mg/mL (67.57 mM; Need ultrasonic and warming)H2O : < 0.1 mg/mL (insoluble)
[form ]

Powder
[pka]

3.44±0.12(Predicted)
[color ]

Light yellow to yellow
[InChI]

1S/C17H12N2O2/c20-17-15(11-14-7-4-10-18-12-14)19-16(21-17)9-8-13-5-2-1-3-6-13/h1-12H/b9-8+,15-11+
[InChIKey]

GFGMISOSPOPSHN-QCTDOKRBSA-N
[SMILES]

N1=C(OC(=O)\C\1=C/c3cnccc3)\C=C\c2ccccc2
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[WGK Germany ]

WGK 2
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

TC-DAPK 6 is a potent, ATP-competitive, and highly selective DAPK inhibitor (IC50=69 and 225 nM against DAPK1 and DAPK3, respectively, with 10 μM ATP).
[References]

[1] Okamoto M, et al. Identification of death-associated protein kinases inhibitors using structure-based virtual screening. J Med Chem. 2009 Nov 26;52(22):7323-7. DOI:10.1021/jm901191q
Spectrum DetailBack Directory
[Spectrum Detail]

TC-DAPK 6(315694-89-4)1HNMR
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