WIN 18446 (CHEBI:90441)

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ChEBI Name	WIN 18446

ChEBI ID	CHEBI:90441

Definition	A carboxamide that is 1,8-diaminooctane in which a hydrogen attached to each of the amino groups has been replaced by a dichloroacetyl group. Inhibitor of aldehyde dehydrogenase 1a2 (ALDH1a2). Inhibits the biosynthesis of retinoic acid from retinol in neonatal and adult murine testis. It down-regulates sex related genes in zebrafish.

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

Submitter	Ceri

Supplier Information

Download	Molfile XML SDF

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Formula

C12H20Cl4N2O2

Net Charge

Average Mass

366.112

Monoisotopic Mass

364.02789

InChI

InChI=1S/C12H20Cl4N2O2/c13-9(14)11(19)17-7-5-3-1-2-4-6-8-18-12(20)10(15)16/h9-10H,1-8H2,(H,17,19)(H,18,20)

InChIKey

FAOMZVDZARKPFJ-UHFFFAOYSA-N

SMILES

ClC(C(NCCCCCCCCNC(C(Cl)Cl)=O)=O)Cl

Roles Classification
Biological Role(s):	EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor An EC 1.2.1.* (oxidoreductase acting on donor aldehyde/oxo group with NAD+ or NADP+ as acceptor) inhibitor that interferes with the action of aldehyde dehydrogenase (NAD+), EC 1.2.1.3.

ChEBI Ontology
Outgoing	WIN 18446 (CHEBI:90441) has functional parent 1,8-diaminooctane (CHEBI:73112) WIN 18446 (CHEBI:90441) has functional parent dichloroacetic acid (CHEBI:36386) WIN 18446 (CHEBI:90441) has role EC 1.2.1.3 [aldehyde dehydrogenase (NAD⁺)] inhibitor (CHEBI:35487) WIN 18446 (CHEBI:90441) is a organochlorine compound (CHEBI:36683) WIN 18446 (CHEBI:90441) is a secondary carboxamide (CHEBI:140325)

IUPAC Name

N,N'-octane-1,8-diylbis(2,2-dichloroacetamide)

Synonyms	Sources
N,N'-1,8-Octanediylbis(2,2-dichloroacetamide)	SUBMITTER
N,N'-bis(dichloracetyl)-1,8-octanediamine	ChemIDplus
N,N'-bis(dichloroacetyl)-1,8-diaminooctane	ChemIDplus
N,N'-bis(dichloroacetyl)-1,8-octamethylenediamine	ChemIDplus
N,N'-octamethylenebis(2,2-dichloro-N-ethylacetamide)	ChemIDplus
N,N'-octamethylenebis(2,2-dichloroacetamide)	ChemIDplus
WIN 18,446	ChemIDplus
Win-18446	ChemIDplus
WIN18446	ChEBI

Last Modified

07 March 2018