AQ4

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H28N4O4
Molecular Weight	412.4821
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN(C)CCNC1=C2C(=O)C3=C(C(O)=CC=C3O)C(=O)C2=C(NCCN(C)C)C=C1

InChI

InChIKey=DBAMBJQJKDHEQX-UHFFFAOYSA-N

InChI=1S/C22H28N4O4/c1-25(2)11-9-23-13-5-6-14(24-10-12-26(3)4)18-17(13)21(29)19-15(27)7-8-16(28)20(19)22(18)30/h5-8,23-24,27-28H,9-12H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C22H28N4O4
Molecular Weight	412.4821
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:15:26 UTC 2023` Edited by `admin` on `Fri Dec 15 17:15:26 UTC 2023`
Record UNII	QXB9LEJ2B2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AQ4

Common Name

English

BIS((2-(DIMETHYLAMINO)ETHYL)AMINO)-5,8-DIHYDROXYANTHRAQUINONE, 1,4-

Systematic Name

English

Code System Code Type Description

CAS

70476-63-0

Created by admin on Fri Dec 15 17:15:26 UTC 2023 , Edited by admin on Fri Dec 15 17:15:26 UTC 2023

PRIMARY

FDA UNII

QXB9LEJ2B2

Created by admin on Fri Dec 15 17:15:26 UTC 2023 , Edited by admin on Fri Dec 15 17:15:26 UTC 2023

PRIMARY

EPA CompTox

DTXSID00220741

Created by admin on Fri Dec 15 17:15:26 UTC 2023 , Edited by admin on Fri Dec 15 17:15:26 UTC 2023

PRIMARY

PUBCHEM

135468

Created by admin on Fri Dec 15 17:15:26 UTC 2023 , Edited by admin on Fri Dec 15 17:15:26 UTC 2023

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DNA TOPOISOMERASE 2-ALPHA

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Comments:

Reduction of AQ4N to the mono N-oxide intermediate AQ4M [ 1-{[2-(dimethylamino-N-oxide)ethyl]amino}-4-{[2-(dimethylamino) ethyl]amino}-5,8-dihydroxyanthracene-9,10-dione] and finally to AQ4 provides a mechanism for selectively generating the active topoisomerase inhibitor within hypoxic cancer cells.

Amount: