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1357349-91-7

1357349-91-7 Structure

1357349-91-7 Structure
IdentificationBack Directory
[Name]

1-(1-Methylethyl)-3-(2-phenylethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
[CAS]

1357349-91-7
[Synonyms]

SPP 86
SPP86 >=98% (HPLC)
1-(1-Methylethyl)-3-(2-phenylethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 1-(1-methylethyl)-3-(2-phenylethynyl)-
[Molecular Formula]

C16H15N5
[MOL File]

1357349-91-7.mol
[Molecular Weight]

277.32
Chemical PropertiesBack Directory
[Boiling point ]

495.3±40.0 °C(Predicted)
[density ]

1.23±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

Soluble in DMSO
[form ]

Solid
[pka]

3.95±0.30(Predicted)
[color ]

Off-white to light yellow
[InChI]

1S/C16H15N5/c1-11(2)21-16-14(15(17)18-10-19-16)13(20-21)9-8-12-6-4-3-5-7-12/h3-7,10-11H,1-2H3,(H2,17,18,19)
[InChIKey]

JQOIRTDBHMDWMT-UHFFFAOYSA-N
[SMILES]

NC1=NC=NC2=C1C(C#CC3=CC=CC=C3)=NN2C(C)C
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Uses]

SPP 86 is a potent RET Kinase inhibitor.
[Biological Activity]

SPP86 is a potent cell permeable inihbitor of RET tyrosine kinase with an IC50 value of 8 nM and with some inhibitory activity at EphA1FGFR1Flt4Lck and Yes. SPP86 does not inhibit p38CSKKITPDGFSrc or BCR-ABL. SPP86 inhibited RET-mediated activation of the PI3K/Akt and MAPK pathways at doses of 0.1- 1 μM in a cell line expressing oncogenic RET and inhibited RET-induced ERα phosphorylation and proliferation in MCF7 cells with an IC50 value of 1.0 μMsimilar to tamoxifen.
[storage]

Store at +4°C
Spectrum DetailBack Directory
[Spectrum Detail]

1-(1-Methylethyl)-3-(2-phenylethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine(1357349-91-7)1HNMR
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