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

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Identification
Name PKC-theta inhibitor
Synonyms 4-N-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine
Molecular Structure CAS # 736048-65-0, PKC-theta inhibitor, 4-N-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine
Molecular Formula C20H25F3N6O3
Molecular Weight 454.45
CAS Registry Number 736048-65-0
SMILES C1CC(CCC1CN)CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=CC=C3OC(F)(F)F
Properties
Solubility 1.63 mg/L (25 ºC water)
Density 1.4±0.1 g/cm3, Calc.*
Index of Refraction 1.594, Calc.*
Melting point 228.04 ºC
Boiling Point 533.06 ºC, 597.1±60.0 ºC (760 mmHg), Calc.*
Flash Point 314.9±32.9 ºC, Calc.*
* Calculated using Advanced Chemistry Development (ACD/Labs) Software.
Safety Data
Hazard Symbols symbol   GHS07 Warning    Details
Hazard Statements H302-H315-H319-H335    Details
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    Details
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