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PKC-theta inhibitor
[CAS# 736048-65-0]

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Identification
NamePKC-theta inhibitor
Synonyms4-N-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine
Molecular StructureCAS # 736048-65-0, PKC-theta inhibitor
Molecular FormulaC20H25F3N6O3
Molecular Weight454.45
CAS Registry Number736048-65-0
SMILESC1CC(CCC1CN)CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=CC=C3OC(F)(F)F
Properties
Solubility1.63 mg/L (25 °C water)
Density1.4±0.1 g/cm3, Calc.*
Index of Refraction1.594, Calc.*
Melting point228.04 °C
Boiling Point533.06 °C, 597.1±60.0 °C (760 mmHg), Calc.*
Flash Point314.9±32.9 °C, Calc.*
*Calculated using Advanced Chemistry Development (ACD/Labs) Software.
Safety Data
Hazard Symbolssymbol   GHS07 Warning  Details
Risk StatementsH302-H315-H319-H335  Details
Safety StatementsP261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501  Details
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