BIIB021 (CHEBI:90687)

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ChEBI Name	BIIB021

ChEBI ID	CHEBI:90687

Definition	A member of the class of 2-aminopurines that is 2-aminopurine which is substituted by a chlorine at position 6 and by a (4-methoxy-3,5-dimethylpyridin-2-yl)methyl group at position 9.

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

Submitter	Matthias Ziehm

Supplier Information

Download	Molfile XML SDF

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Formula

C14H15ClN6O

Net Charge

Average Mass

318.762

Monoisotopic Mass

318.09959

InChI

InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)

InChIKey

QULDDKSCVCJTPV-UHFFFAOYSA-N

SMILES

N1=C(N)N=C2C(=C1Cl)N=CN2CC=3N=CC(C)=C(OC)C3C

Roles Classification
Biological Role(s):	Hsp90 inhibitor An EC 3.6.4.10 (non-chaperonin molecular chaperone ATPase) inhibitor that blocks the action of heat shock protein 90.

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

ChEBI Ontology
Outgoing	BIIB021 (CHEBI:90687) has role antineoplastic agent (CHEBI:35610) BIIB021 (CHEBI:90687) has role Hsp90 inhibitor (CHEBI:63962) BIIB021 (CHEBI:90687) is a 2-aminopurines (CHEBI:20702) BIIB021 (CHEBI:90687) is a aromatic ether (CHEBI:35618) BIIB021 (CHEBI:90687) is a organochlorine compound (CHEBI:36683) BIIB021 (CHEBI:90687) is a pyridines (CHEBI:26421)

IUPAC Name

6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine

Last Modified

25 February 2016