IGUANA-1 free base (STL5-T-0057) is a selective inhibitor of ALDH1 B1 with IC50 of 30 nM. IGUANA-1 free base inhibits SW480 cell growth under attached or spherical conditions with IC50s of 2.46 and 0.39 μM, respectively. IGUANA-1 free base may be utilized in cancer research.

Physicochemical Properties

Molecular Formula	C26H24CLN3O2
Molecular Weight	445.94
Exact Mass	445.155
CAS #	2756014-24-9
Related CAS #	IGUANA-1;2756014-25-0
PubChem CID	165437235
Appearance	White to off-white solid powder
LogP	4.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	32
Complexity	705
Defined Atom Stereocenter Count	0
InChi Key	GZPHCWHSTCFXHE-UHFFFAOYSA-N
InChi Code	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
Chemical Name	3-(4-chloro-2-methoxyphenyl)-1-[4-(2-methoxyphenyl)phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine
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
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	IC50: 30 nM (ALDH1 B1), 2.46 μM (SW480, adherent), 0.39 μM (SW480, spheroid)[1]
ln Vitro	With an IC50 value of 30 nM, IGUANA-1 free base (compound 68) (0-10 μM) inhibits ALDH1 B1[1]. HEK293T cell proliferation is inhibited by IGUANA-1 free base (0.01-10 μM; 4-5 d)[1]. In adherent and spheroid settings, IGUANA-1 free base (0.01-10 μM) decreases the viability of SW480 cells with IC50 values of 2.46 and 0.39 μM, respectively[1].
Cell Assay	Cell Cytotoxicity Assay[1] Cell Types: HEK293T cell line Tested Concentrations: 0.01-10 μM Incubation Duration: 4-5 d Experimental Results: demonstrated cell cytotoxicity to HEK293T cells with a GI50 value of 1.7 μM.
References	[1]. Preparation of substituted imidazolium or cyclic guanidine compounds as isoform-specific aldehyde dehydrogenase inhibitors for the treatment of cancer. WO2021257696 A1. 2021.

Solubility Data

Solubility (In Vitro)

May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples

Solubility (In Vivo)

Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples. Injection Formulations (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] *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. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Oral Formulations Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.2425 mL	11.2123 mL	22.4245 mL
	5 mM	0.4485 mL	2.2425 mL	4.4849 mL
	10 mM	0.2242 mL	1.1212 mL	2.2425 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.