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IGUANA-1 (free base)

CAT: 0804-HY-148243-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-148243-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
IGUANA-1 free base (STL5-T-0057) is an selective ALDH1 B1 inhibitor with an IC50 value of 30 nM. IGUANA-1 free base inhibits cell growth of SW480 cells in adherent and spheroid conditions with IC50 values of 2.46 and 0.39 μM, respectively. IGUANA-1 free base can be used for the research of cancer[1].
CAS Number
2756014-24-9
Product Name Alternative
STL5-T-0057
UNSPSC
12352005
Target
Aldehyde Dehydrogenase (ALDH)
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/iguana-1-free-base.html
Purity
99.69
Solubility
10 mM in DMSO
Smiles
ClC1=CC(OC)=C(C2=CN(C3=NCCCN32)C4=CC=C(C5=C(OC)C=CC=C5)C=C4)C=C1
Molecular Formula
C26H24ClN3O2
Molecular Weight
445.94
References & Citations
[1]Chen Jame Kenneth, et al. Preparation of substituted imidazolium or cyclic guanidine compounds as isoform-specific aldehyde dehydrogenase inhibitors for the treatment of cancer. WO2021257696 A1. 2021.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

IGUANA-1 free base
CAS Number2756014-24-9
PubChem CID165437235
IUPAC Name3-(4-chloro-2-methoxyphenyl)-1-[4-(2-methoxyphenyl)phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine
Molecular FormulaC26H24ClN3O2
Molecular Weight445.9
XLogP4.9
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity705
SMILES
COC1=CC=CC=C1C2=CC=C(C=C2)N3C=C(N4C3=NCCC4)C5=C(C=C(C=C5)Cl)OC
InChI
InChI=1S/C26H24ClN3O2/c1-31-24-7-4-3-6-21(24)18-8-11-20(12-9-18)30-17-23(29-15-5-14-28-26(29)30)22-13-10-19(27)16-25(22)32-2/h3-4,6-13,16-17H,5,14-15H2,1-2H3
InChIKey
GZPHCWHSTCFXHE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of IGUANA-1 free base
CAS: 2756014-24-9
CID: 165437235
Formula: C26H24ClN3O2
MW: 445.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.9
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass445.1557047
Monoisotopic Mass445.1557047
Topological Polar Surface Area37.3 Ų
Heavy Atom Count32
Formal Charge0
Complexity705
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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