pimasertib (CHEBI:94793)

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ChEBI Name	pimasertib

ChEBI ID	CHEBI:94793

Definition	A secondary carboxamide resulting from the formal condensation of the carboxy group of 3-(2-fluoro-4-iodoanilino)pyridine-4-carboxylic acid with the amino group of (2S)-3-aminopropane-1,2-diol. It is a potent inhibitor of the mitogen-activated protein kinases MEK1 and MEK2 with potential antineoplastic activity.

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

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Formula

C15H15FIN3O3

Net Charge

Average Mass

431.206

Monoisotopic Mass

431.01421

InChI

InChI=1S/C15H15FIN3O3/c16-12-5-9(17)1-2-13(12)20-14-7-18-4-3-11(14)15(23)19-6-10(22)8-21/h1-5,7,10,20-22H,6,8H2,(H,19,23)/t10-/m0/s1

InChIKey

VIUAUNHCRHHYNE-JTQLQIEISA-N

SMILES

OC[C@@H](O)CNC(=O)C1=C(NC2=C(F)C=C(I)C=C2)C=NC=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 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor An EC 2.7.12.* [dual-specificity kinases (those acting on Ser/Thr and Tyr residues)] inhibitor that inhibits the action of mitogen-activated protein kinase kinase (EC 2.7.12.2). apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	pimasertib (CHEBI:94793) has role antineoplastic agent (CHEBI:35610) pimasertib (CHEBI:94793) has role apoptosis inducer (CHEBI:68495) pimasertib (CHEBI:94793) has role EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor (CHEBI:88286) pimasertib (CHEBI:94793) is a aminopyridine (CHEBI:38207) pimasertib (CHEBI:94793) is a difluorobenzene (CHEBI:38582) pimasertib (CHEBI:94793) is a diol (CHEBI:23824) pimasertib (CHEBI:94793) is a primary alcohol (CHEBI:15734) pimasertib (CHEBI:94793) is a pyridinecarboxamide (CHEBI:25529) pimasertib (CHEBI:94793) is a secondary alcohol (CHEBI:35681) pimasertib (CHEBI:94793) is a secondary carboxamide (CHEBI:140325) pimasertib (CHEBI:94793) is a substituted aniline (CHEBI:48975)

IUPAC Name

N-[(2S)-2,3-dihydroxypropyl]-3-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide

Synonyms	Sources
AS 703026	ChEBI
AS-703026	ChEBI
AS703026	ChEBI
MSC 1936369B	ChEBI
MSC-1236369B	ChEBI
MSC1936369B	ChEBI
N-[(2S)-2,3-dihydroxypropyl]-3-(2-fluoro-4-iodoanilino)-4-pyridinecarboxamide	ChEBI
SAR 245509	ChEBI
SAR-245509	ChEBI
SAR245509	ChEBI

Registry Number	Type	Source
1236699-92-5	CAS Registry Number	KEGG DRUG

Last Modified

14 June 2024