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Irisquinone

CAT: 0804-HY-N7147-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N7147-02Size:5 mg
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Description
Irisquinone, a natural product, is an anticancer agent. Irisquinone is also a radiation sensitizer for cancer. Irisquinone reduces GSH level and inhibits the repair of DNA singular strand breaks[1][2][3].
CAS Number
56495-82-0
UNSPSC
12352211
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/irisquinone.html
Solubility
10 mM in DMSO
Smiles
O=C1C(CCCCCCCCC/C=C\CCCCCC)=CC(C=C1OC)=O
Molecular Formula
C24H38O3
Molecular Weight
374.56
References & Citations
[1]Xu H, et al. Dynamic observation of the radiosensitive effect of irisquinone on rabbit VX2 lung transplant tumors by using fluorine-18-deoxyglucose positron emission tomography/computed tomography. Nucl Med Commun. 2013 Mar;34 (3) :220-8. |[2]Wang H, et al. Radiosensitizing effect of irisquinone on glioma through the downregulation of HIF-1α evaluated by 18F-FDG and 18F-FMISO PET/CT. Nucl Med Commun. 2016 Jul;37 (7) :705-14. |[3]Liang, l., et al. The effect of Irisquinone on the glutathione system and MRP expression of cisplatin-resistant human lung adenocarcinoma cell line (A DDP549) . Chin J Cancer Res 13, 171–175 (2001) .
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Irisquinone

irisquinone has been reported in Iris missouriensis, Iris sibirica, and other organisms with data available.

CAS Number56495-82-0
PubChem CID5318483
IUPAC Name2-[(Z)-heptadec-10-enyl]-6-methoxycyclohexa-2,5-diene-1,4-dione
Molecular FormulaC24H38O3
Molecular Weight374.6
XLogP8.2
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count16
Heavy Atom Count27
Formal Charge0
Complexity526
SMILES
CCCCCC/C=C\CCCCCCCCCC1=CC(=O)C=C(C1=O)OC
InChI
InChI=1S/C24H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-22(25)20-23(27-2)24(21)26/h8-9,19-20H,3-7,10-18H2,1-2H3/b9-8-
InChIKey
YYCCUFKHCNSRIA-HJWRWDBZSA-N
Chemical Structure
2D Structure
2D structure of Irisquinone
CAS: 56495-82-0
CID: 5318483
Formula: C24H38O3
MW: 374.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.6
XLogP38.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count16
Exact Mass374.28209507
Monoisotopic Mass374.28209507
Topological Polar Surface Area43.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity526
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T82046-01Irisquinone
AR-I03952-01Irisquinone-d14
AR-I03951-01Irisquinone-d3

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