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AQ4

CAT: 0804-HY-121649-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-121649-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AQ4 is a topoisomerase II inhibitor and DNA intercalator as a chemically stable cytotoxic agent in many human tumor lines[1].
CAS Number
70476-63-0
UNSPSC
12352005
Hazard Statement
H302, H410
Target
Topoisomerase
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/aq4.html
Purity
97.34
Solubility
DMSO : 5 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C1C2=C(C(C3=C(C=CC(NCCN(C)C)=C13)NCCN(C)C)=O)C(O)=CC=C2O
Molecular Formula
C22H28N4O4
Molecular Weight
412.48
Precautions
H302, H410
References & Citations
[1]Luan X, et al. A Tumor Vascular-Targeted Interlocking Trimodal Nanosystem That Induces and Exploits Hypoxia. Adv Sci (Weinh) . 2018 May 28;5 (8) :1800034.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Topo II

Chemical Information

9,10-Anthracenedione, 1,4-bis((2-(dimethylamino)ethyl)amino)-5,8-dihydroxy-
CAS Number70476-63-0
PubChem CID135468
IUPAC Name1,4-bis[2-(dimethylamino)ethylamino]-5,8-dihydroxyanthracene-9,10-dione
Molecular FormulaC22H28N4O4
Molecular Weight412.5
XLogP3.3
Topological Polar Surface Area105
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity562
SMILES
CN(C)CCNC1=C2C(=C(C=C1)NCCN(C)C)C(=O)C3=C(C=CC(=C3C2=O)O)O
InChI
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
InChIKey
DBAMBJQJKDHEQX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9,10-Anthracenedione, 1,4-bis((2-(dimethylamino)ethyl)amino)-5,8-dihydroxy-
CAS: 70476-63-0
CID: 135468
Formula: C22H28N4O4
MW: 412.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.5
XLogP33.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass412.21105539
Monoisotopic Mass412.21105539
Topological Polar Surface Area105 Ų
Heavy Atom Count30
Formal Charge0
Complexity562
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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