| Identification | Back Directory | [Name]
CCT245737 | [CAS]
1489389-18-5 | [Synonyms]
SRA737
CS-2519
SRA 737
CCT245737
CCT-245737
(SRA-737
CCT245737; CCT 245737; CCT-245737.
SRA-737;SRA737;SRA 737;CCT245737;CCT 245737
2-Pyrazinecarbonitrile, 5-[[4-[[(2R)-2-morpholinylmethyl]amino]-5-(trifluoromethyl)-2-pyridinyl]amino]- | [Molecular Formula]
C16H16F3N7O | [MDL Number]
MFCD30489721 | [MOL File]
1489389-18-5.mol | [Molecular Weight]
379.34 |
| Chemical Properties | Back Directory | [Boiling point ]
547.2±50.0 °C(Predicted) | [density ]
1.44±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO:53.5(Max Conc. mg/mL);141.03(Max Conc. mM)
Ethanol:9.0(Max Conc. mg/mL);23.72(Max Conc. mM) | [form ]
A crystalline solid | [pka]
8.56±0.40(Predicted) | [color ]
White to yellow | [InChI]
InChI=1S/C16H16F3N7O/c17-16(18,19)12-8-25-14(26-15-9-22-10(4-20)5-24-15)3-13(12)23-7-11-6-21-1-2-27-11/h3,5,8-9,11,21H,1-2,6-7H2,(H2,23,24,25,26)/t11-/m1/s1 | [InChIKey]
YBYYWUUUGCNAHQ-LLVKDONJSA-N | [SMILES]
C1(C#N)=NC=C(NC2=NC=C(C(F)(F)F)C(NC[C@@H]3OCCNC3)=C2)N=C1 |
| Hazard Information | Back Directory | [Uses]
CCT245737 is a CHK inhibitor. | [in vivo]
CCT245737 (150 mg/kg p.o.) inhibits tumor growth in combination with LY 188011 (100 mg/kg iv) in HT29 colon cancer xenografts. CCT245737 (300 mg/kg, p.o.) also inhibits the LY 188011 (60 mg/kg iv) induced pSer296 CHK1 autophosphorylation at 24 h in SW620 human colon cancer xenografts[1]. CCT245737 (150 mg/kg, p.o) alone significantly inhibits tumor growth in an Eμ-Myc mouse model of human B-cell lymphocytic leukemia[2]. | [IC 50]
Chk1: 1.3 nM (IC50); Chk2: 2440 nM (IC50); ERK8: 130 nM (IC50); PKD1: 298 nM (IC50); RSK2: 361 nM (IC50); RSK1: 362 nM (IC50); FLT3: 582 nM (IC50); MARK3: 698 nM (IC50); NUAK1: 711 nM (IC50); CLK2: 1370 nM (IC50); BRSK1: 1660 nM (IC50); AMPK: 2970 nM (IC50); PHK: 3470 nM (IC50); CDK2/CyclA: 3850 nM (IC50); CDK1/CyclB: 9030 nM (IC50) | [storage]
Store at -20°C |
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