PD 0325901 (CHEBI:88249)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	PD 0325901

ChEBI ID	CHEBI:88249

Definition	A hydroxamic acid ester that is benzhydroxamic acid (N-hydroxybenzamide) in which the hydroxamic acid group has been converted to the corresponding 2,3-dihydroxypropyl ester and in which the benzene ring has been substituted at position 2 by a (2-fluoro-4-iodophenyl)amino group and at positions 3 and 4 by fluorines (the R enantiomer).

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

Supplier Information

Download	Molfile XML SDF

more structures >>

Formula

C16H14F3IN2O4

Net Charge

Average Mass

482.194

Monoisotopic Mass

481.99504

InChI

InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1

InChIKey

SUDAHWBOROXANE-SECBINFHSA-N

SMILES

C1(=CC=C(C(=C1NC=2C(=CC(=CC2)I)F)F)F)C(NOC[C@@H](CO)O)=O

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).

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

ChEBI Ontology
Outgoing	PD 0325901 (CHEBI:88249) has role antineoplastic agent (CHEBI:35610) PD 0325901 (CHEBI:88249) has role EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor (CHEBI:88286) PD 0325901 (CHEBI:88249) is a difluorobenzene (CHEBI:38582) PD 0325901 (CHEBI:88249) is a hydroxamic acid ester (CHEBI:75606) PD 0325901 (CHEBI:88249) is a monofluorobenzenes (CHEBI:83575) PD 0325901 (CHEBI:88249) is a organoiodine compound (CHEBI:37142) PD 0325901 (CHEBI:88249) is a propane-1,2-diols (CHEBI:26284) PD 0325901 (CHEBI:88249) is a secondary amino compound (CHEBI:50995)

IUPAC Name

N-[(2R)-2,3-dihydroxypropoxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide

Last Modified

24 February 2016