4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine (CHEBI:143118)

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ChEBI Name	4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine

ChEBI ID	CHEBI:143118

ChEBI ASCII Name	4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine

Definition	A pyrazolopyridazine that is pyrazolo[1,5-b]pyridazine which is substituted by a 2-(3-methoxyanilino)pyrimidin-4-yl group at position 3 and by an ethoxy group at position 6. It is a CLK4 kinase inhibitor.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Tim Willson

Supplier Information

Download	Molfile XML SDF

Formula

C19H18N6O2

Net Charge

Average Mass

362.393

Monoisotopic Mass

362.14912

InChI

InChI=1S/C19H18N6O2/c1-3-27-18-8-7-17-15(12-21-25(17)24-18)16-9-10-20-19(23-16)22-13-5-4-6-14(11-13)26-2/h4-12H,3H2,1-2H3,(H,20,22,23)

InChIKey

PFPKIQYPGNSSKT-UHFFFAOYSA-N

SMILES

CCOC1=NN2N=CC(C3=CC=NC(NC4=CC(OC)=CC=C4)=N3)=C2C=C1

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	EC 2.7.12.* [dual-specificity kinases (those acting on Ser/Thr and Tyr residues)] inhibitor An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of duals specificity kinases acting on Ser/Thr and Tyr residues.

ChEBI Ontology
Outgoing	4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine (CHEBI:143118) has role EC 2.7.12.* [dual-specificity kinases (those acting on Ser/Thr and Tyr residues)] inhibitor (CHEBI:88285) 4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine (CHEBI:143118) is a aromatic ether (CHEBI:35618) 4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine (CHEBI:143118) is a pyrazolopyridazine (CHEBI:48383) 4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine (CHEBI:143118) is a pyrimidines (CHEBI:39447) 4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine (CHEBI:143118) is a secondary amino compound (CHEBI:50995) 4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine (CHEBI:143118) is a substituted aniline (CHEBI:48975)

IUPAC Name

4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine

Synonym	Source
UNC-CAF-025	ChEBI

Last Modified

11 March 2019