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Iodoquine

CAT: 0013-GTR19264074-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19264074-02Size:50 mg
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Description
Iodoquine, a chloroquine analog, is characterized by high uptake in tumor cells, specifically targeting cells with elevated ALDH1 levels, such as cancer stem cells. Its low uptake in normal brain tissue makes it a potential candidate for tumor diagnosis or research as a radiotracer.
CAS Number
2007-00-3
Smiles
IC=1C=CC=2C (=NC=CC2NC (C) CCCN (CC) CC) C1
Molecular Formula
C18H26IN3
Molecular Weight
411.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Iodoquine

structure in first source

CAS Number2007-00-3
PubChem CID3571163
IUPAC Name1-N,1-N-diethyl-4-N-(7-iodoquinolin-4-yl)pentane-1,4-diamine
Molecular FormulaC18H26IN3
Molecular Weight411.3
XLogP4.7
Topological Polar Surface Area28.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count22
Formal Charge0
Complexity309
SMILES
CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)I
InChI
InChI=1S/C18H26IN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)
InChIKey
QCZZTGLRWDAZMG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Iodoquine
CAS: 2007-00-3
CID: 3571163
Formula: C18H26IN3
MW: 411.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight411.3
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass411.11715
Monoisotopic Mass411.11715
Topological Polar Surface Area28.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity309
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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