anti-cancer compound 32 (compound 2g) is an anti-cancer compound. anti-cancer compound 32 has anti-cancer effect, affects the cell cycle and causes apoptosis. anti-cancer compound 32 may be utilized in cancer-related research.

Physicochemical Properties

Molecular Formula	C24H21F2N5O
Molecular Weight	433.453251600266
Exact Mass	433.171
CAS #	2222930-76-7
PubChem CID	141512488
Appearance	Typically exists as solid at room temperature
LogP	4.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	32
Complexity	615
Defined Atom Stereocenter Count	0
InChi Key	QKMYYEFHARJZOA-UHFFFAOYSA-N
InChi Code	InChI=1S/C24H21F2N5O/c1-14-6-15(2)8-18(7-14)30-24(32)29-17-5-3-4-16(9-17)12-28-23-13-27-21-10-19(25)20(26)11-22(21)31-23/h3-11,13H,12H2,1-2H3,(H,28,31)(H2,29,30,32)
Chemical Name	1-[3-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]phenyl]-3-(3,5-dimethylphenyl)urea
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

ln Vitro	The anticancer drug 32 exhibits cytotoxic action against cancer cell lines at 2.5–40 μM during a 48-hour period [1]. Anticancer agent 32 (0-16 μM; 24 hours) modifies the cell cycle, triggers programmed cell death, and raises intracellular ROS and Ca2+ concentrations [1].
Cell Assay	Cytotoxicity assay[1] Cell Types: MGC-803, HeLa, NCI-H460, HepG2, SMMC-7721, T-24 and HL-7702 Cell line Tested Concentrations: 2.5, 5, 10, 20 and 40 μM Incubation Duration: 48 Experimental Results: MGC-803, HeLa, NCI-H460, HepG2, SMMC-7721, T-24 and HL-7702 cells inhibited cell growth with IC50 values of 17.2, 12.3, 40.6, 46.8, 95.4, 8.9 and 86.8 μM, respectively. Cell cycle analysis[1] Cell Types: MGC-803 and T-24 cell lines Tested Concentrations: 0, 8 and 12 μM Incubation Duration: 24 hrs (hours) Experimental Results: Significant induction of cell cycle arrest in G2/M phase in T-24 cells . Western Blot Analysis[1] Cell Types: MGC-803 and T-24 cell lines Tested Concentrations: 4, 8 and 12 μM Incubation Duration: 24 hrs (hours) Experimental Results: diminished cyclin B1 expression levels. Apoptosis analysis[1] Cell Types: MGC-803 and T-24 cell lines Tested Concentrations: 0, 4, 8 and 16 μM Incubation Duration: 24 hrs (hours) Experimental Results: Apoptosis of T-24 cells after 100% treatment Apoptosis rate was induced from 8.21% to 32.91%, and the levels of caspase-3 and caspase-9 in T-24 cells increa
References	[1]. Li GZ, et al. Synthesis and biological evaluation of novel 1,3-diphenylurea quinoxaline derivatives as potent anticancer agents. Med Chem Res 30, 1496–1511 (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	2.3071 mL	11.5354 mL	23.0707 mL
	5 mM	0.4614 mL	2.3071 mL	4.6141 mL
	10 mM	0.2307 mL	1.1535 mL	2.3071 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.