IGUANA-1 is a potent inhibitor of ALDH1B1, a mitochondrial enzyme that promotes colorectal and pancreatic cancer. IGUANA-1 has significant inhibitory effects on cancer cells.

Physicochemical Properties

Molecular Formula	C27H26CLN3O4
Molecular Weight	491.966045856476
Exact Mass	491.161
CAS #	2756014-25-0
Related CAS #	IGUANA-1 free base;2756014-24-9
PubChem CID	166176925
Appearance	White to off-white solid powder
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	35
Complexity	716
Defined Atom Stereocenter Count	0
SMILES	C(=O)O.O(C1C=C(Cl)C=CC=1C1=CN(C2C=CC(C3C=CC=CC=3OC)=CC=2)C2=NCCCN12)C
InChi Key	GONSQPFNQHUNGK-UHFFFAOYSA-N
InChi Code	InChI=1S/C26H24ClN3O2.CH2O2/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;2-1-3/h3-4,6-13,16-17H,5,14-15H2,1-2H3;1H,(H,2,3)
Chemical Name	3-(4-chloro-2-methoxyphenyl)-1-[4-(2-methoxyphenyl)phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine;formic acid
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

Targets	ALDH1
References	[1]. Targeting colorectal cancer with small-molecule inhibitors of ALDH1B1. Nat Chem Biol. 2022 Oct;18(10):1065-1075.

Solubility Data

Solubility (In Vitro)

DMSO: 50 mg/mL (101.63 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 1 mg/mL (2.03 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 10.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 1 mg/mL (2.03 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 10.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 1 mg/mL (2.03 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 10.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.0326 mL	10.1632 mL	20.3264 mL
	5 mM	0.4065 mL	2.0326 mL	4.0653 mL
	10 mM	0.2033 mL	1.0163 mL	2.0326 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.