N-(2-[(2-aminoethyl)(methyl)amino]-5-{[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino}phenyl)acetamide (CHEBI:143115)

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CHEBI:143115 - N-(2-[(2-aminoethyl)(methyl)amino]-5-{[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino}phenyl)acetamide

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ChEBI ID	CHEBI:143115
ChEBI Name	N-(2-[(2-aminoethyl)(methyl)amino]-5-{[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino}phenyl)acetamide
Stars
ASCII Name	N-(2-[(2-aminoethyl)(methyl)amino]-5-{[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino}phenyl)acetamide
Definition	A pyrazolopyrimidine that is pyrazolo[1,5-a]pyrimidine which is substituted at positions 3, 5, and 7 by cyano, {3-acetamido-4-[(2-aminoethyl)(methyl)amino]phenyl}nitrilo and cyclopropylnitrilo groups, respectively. It is a DYRK2 and CSNK2A2 kinase inhibitor.
Last Modified	11 March 2019
Submitter	Tim Willson
Downloads	Molfile

Formula	C21H25N9O
Net Charge	0
Average Mass	419.493
Monoisotopic Mass	419.21821
SMILES	CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N(C)CCN
InChI	InChI=1S/C21H25N9O/c1-13(31)25-17-9-16(5-6-18(17)29(2)8-7-22)26-19-10-20(27-15-3-4-15)30-21(28-19)14(11-23)12-24-30/h5-6,9-10,12,15,27H,3-4,7-8,22H2,1-2H3,(H,25,31)(H,26,28)
InChIKey	FBMJGDCKBKUMJF-UHFFFAOYSA-N

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of non-specific serine/threonine protein kinase (EC 2.7.11.1), a kinase enzyme involved in phosphorylation of hydroxy group of serine or threonine. 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.
Application:	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	N-(2-[(2-aminoethyl)(methyl)amino]-5-{[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino}phenyl)acetamide (CHEBI:143115) has role antineoplastic agent (CHEBI:35610)
	N-(2-[(2-aminoethyl)(methyl)amino]-5-{[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino}phenyl)acetamide (CHEBI:143115) has role EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor (CHEBI:50925)
	N-(2-[(2-aminoethyl)(methyl)amino]-5-{[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino}phenyl)acetamide (CHEBI:143115) has role EC 2.7.12.* [dual-specificity kinases (those acting on Ser/Thr and Tyr residues)] inhibitor (CHEBI:88285)
	N-(2-[(2-aminoethyl)(methyl)amino]-5-{[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino}phenyl)acetamide (CHEBI:143115) is a acetamides (CHEBI:22160)
	N-(2-[(2-aminoethyl)(methyl)amino]-5-{[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino}phenyl)acetamide (CHEBI:143115) is a cyclopropanes (CHEBI:51454)
	N-(2-[(2-aminoethyl)(methyl)amino]-5-{[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino}phenyl)acetamide (CHEBI:143115) is a nitrile (CHEBI:18379)
	N-(2-[(2-aminoethyl)(methyl)amino]-5-{[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino}phenyl)acetamide (CHEBI:143115) is a pyrazolopyrimidine (CHEBI:38669)
	N-(2-[(2-aminoethyl)(methyl)amino]-5-{[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino}phenyl)acetamide (CHEBI:143115) is a secondary amino compound (CHEBI:50995)
	N-(2-[(2-aminoethyl)(methyl)amino]-5-{[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino}phenyl)acetamide (CHEBI:143115) is a substituted aniline (CHEBI:48975)
	N-(2-[(2-aminoethyl)(methyl)amino]-5-{[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino}phenyl)acetamide (CHEBI:143115) is a tertiary amino compound (CHEBI:50996)

IUPAC Name
N-(2-[(2-aminoethyl)(methyl)amino]-5-{[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino}phenyl)acetamide

Synonym	Source
AZKi-012a	ChEBI

Manual Xrefs	Databases
5Y3	PDBeChem
WO2013144532	Patent

Citations