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736048-65-0

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736048-65-0 Structure

736048-65-0 Structure
IdentificationBack Directory
[Name]

PKC-theta inhibitor
[CAS]

736048-65-0
[Synonyms]

MDK-8650
PKC-theta inhibitor
2,4-Pyrimidinediamine, N4-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-N2-[[2-(trifluoromethoxy)phenyl]methyl]-
[Molecular Formula]

C20H25F3N6O3
[MDL Number]

MFCD31715442
[MOL File]

736048-65-0.mol
[Molecular Weight]

454.45
Chemical PropertiesBack Directory
[Boiling point ]

597.1±60.0 °C(Predicted)
[density ]

1.356±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO : 62.5 mg/mL (137.53 mM)
[form ]

Solid
[pka]

10.27±0.29(Predicted)
[color ]

White to off-white
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Hazard InformationBack Directory
[Uses]

PKC-theta inhibitor 2 is a potent and selective PKC-θ inhibitor with an IC50 value of 18 nM[1].
[IC 50]

PKCθ: 18 nM (IC50)
[References]

[1] Cywin CL, et al. Discovery of potent and selective PKC-theta inhibitors. Bioorg Med Chem Lett. 2007 Jan 1;17(1):225-30. DOI:10.1016/j.bmcl.2006.09.056
Spectrum DetailBack Directory
[Spectrum Detail]

PKC-theta inhibitor(736048-65-0)1HNMR
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