2,5-bis(2-hydroxyethylamino)-3,6-diaziridinylbenzoquinone (CHEBI:90193)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	2,5-bis(2-hydroxyethylamino)-3,6-diaziridinylbenzoquinone

ChEBI ID	CHEBI:90193

Definition	A member of the class of 1,4-benzoquinones that is 1,4-benzoquinone in which the hydrogens at positions 2 and 5 have been replaced by aziridin-1-yl groups while the hydrogens at positions 3 and 6 have been replaced by (2-hydroxyethyl)amino groups.

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

Supplier Information

Download	Molfile XML SDF

more structures >>

Formula

C14H20N4O4

Net Charge

Average Mass

308.334

Monoisotopic Mass

308.14846

InChI

InChI=1S/C14H20N4O4/c19-7-1-15-9-11(17-3-4-17)14(22)10(16-2-8-20)12(13(9)21)18-5-6-18/h15-16,19-20H,1-8H2

InChIKey

MXNZCIQNSJMZST-UHFFFAOYSA-N

SMILES

C1(=C(C(C(=C(C1=O)N2CC2)NCCO)=O)N3CC3)NCCO

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):	alkylating agent Highly reactive chemical that introduces alkyl radicals into biologically active molecules and thereby prevents their proper functioning. It could be used as an antineoplastic agent, but it might be very toxic, with carcinogenic, mutagenic, teratogenic, and immunosuppressant actions. It could also be used as a component of poison gases.

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

ChEBI Ontology
Outgoing	2,5-bis(2-hydroxyethylamino)-3,6-diaziridinylbenzoquinone (CHEBI:90193) has role alkylating agent (CHEBI:22333) 2,5-bis(2-hydroxyethylamino)-3,6-diaziridinylbenzoquinone (CHEBI:90193) has role antineoplastic agent (CHEBI:35610) 2,5-bis(2-hydroxyethylamino)-3,6-diaziridinylbenzoquinone (CHEBI:90193) is a 1,4-benzoquinones (CHEBI:132124) 2,5-bis(2-hydroxyethylamino)-3,6-diaziridinylbenzoquinone (CHEBI:90193) is a aziridines (CHEBI:22681) 2,5-bis(2-hydroxyethylamino)-3,6-diaziridinylbenzoquinone (CHEBI:90193) is a enamine (CHEBI:47989) 2,5-bis(2-hydroxyethylamino)-3,6-diaziridinylbenzoquinone (CHEBI:90193) is a primary alcohol (CHEBI:15734) 2,5-bis(2-hydroxyethylamino)-3,6-diaziridinylbenzoquinone (CHEBI:90193) is a secondary amino compound (CHEBI:50995)

IUPAC Name

2,5-bis(aziridin-1-yl)-3,6-bis[(2-hydroxyethyl)amino]cyclohexa-2,5-diene-1,4-dione

Synonyms	Sources
2,5-bis(2-hydroxyethylamino)-3,6-diaziridinyl-1,4-benzoquinone	ChEBI
2,5-bis(2-hydroxyethylamino)-3,6-diaziridinyl-p-benzoquinone	ChEBI
2,5-diaziridinyl-3,6-bis(2-hydroxyethylamino)-1,4-benzoquinone	ChemIDplus
3,6-bis((2-hydroxyethyl)amino)-2,5-diaziridinyl-1,4-benzoquinone	ChemIDplus
BZQ	ChEBI
NSC 224070	ChemIDplus
NSC-224070	ChemIDplus

Last Modified

03 June 2016