Nemorosone is the major component of Clusia rosea resin. Nemorosone has antiproliferation effects on cancer cells. Nemorosone causes apoptosis in HT-29 and LoVo cells.

Physicochemical Properties

Molecular Formula	C33H42O4
Molecular Weight	502.68
Exact Mass	502.308
CAS #	351416-47-2
PubChem CID	637105
Appearance	White to off-white solid powder
Density	1.1±0.1 g/cm3
Boiling Point	608.9±55.0 °C at 760 mmHg
Flash Point	336.1±28.0 °C
Vapour Pressure	0.0±1.8 mmHg at 25°C
Index of Refraction	1.553
LogP	10.69
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	37
Complexity	1060
Defined Atom Stereocenter Count	3
SMILES	O=C1[C@@]2(C/C=C(/C)\C)C(=C(C/C=C(\C)/C)C([C@]1(C(C1C=CC=CC=1)=O)C(C)(C)[C@@H](C/C=C(\C)/C)C2)=O)O
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	apoptosis[1]
ln Vitro	Nemorosone (0-50 μM; 24-72 h) suppresses HT-29 and LoVo cell growth, with IC50 values of 25.7–27.1 μM and 22.8–64.3.5 μM, respectively[1]. G0/G1 phase cell percentage is increased by meromosone (25.7 μM for HT-29; 22.8 μM for LoVo; 24, 48 hours)[1]. Apoptosis is induced in both cell lines by memorosone (25.7 μM for HT-29; 22.8 μM for LoVo; 24, 48 hours)[1].
ln Vivo	In pancreatic cancer xenografts, memorosone (50 mg/kg; daily intraperitoneal; i.p. for 28 days) exhibits a strong growth-inhibitory effect[2].
Cell Assay	Cell Proliferation Assay[1] Cell Types: HT-29 and LoVo cells Tested Concentrations: 0-50 μM Incubation Duration: 24-72 h Experimental Results: Inhibited the proliferation of HT-29 and LoVo cells with IC50s of 25.7-27.1 μM, 22.8-64.3 μM, respectively. Cell Cycle Analysis[1] Cell Types: HT-29 and LoVo cells Tested Concentrations: 25.7 μM for HT-29; 22.8 μM for LoVo Incubation Duration: 24, 48 hrs (hours) Experimental Results: Increased the percentage of G0/G1 phase cells. Apoptosis Analysis[1] Cell Types: HT-29 and LoVo cells Tested Concentrations: 25.7 μM for HT-29; 22.8 μM for LoVo Incubation Duration: 24, 48 hrs (hours) Experimental Results: Induced apoptosis in both cell lines.
Animal Protocol	Animal/Disease Models: Athymic NMRI nu/nu nude mice (6 to 8 week old female), which had 100 mm3 MIA-PaCa-2 xenograft tumor[2] Doses: 50 mg/kg Route of Administration: Daily ip injections for 28 days Experimental Results: demonstrated a significant growth-inhibitory effect in pancreatic cancer xenografts[2].
References	[1]. The Cuban Propolis Component Nemorosone Inhibits Proliferation and Metastatic Properties of Human Colorectal Cancer Cells. Int J Mol Sci. 2020;21(5):1827. Published 2020 Mar 6. [2]. In vivo activity and pharmacokinetics of nemorosone on pancreatic cancer xenografts. PLoS One. 2013;8(9):e74555. Published 2013 Sep 5.
Additional Infomation	Nemorosone has been reported in Clusia insignis, Clusia nemorosa, and other organisms with data available.

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	1.9893 mL	9.9467 mL	19.8934 mL
	5 mM	0.3979 mL	1.9893 mL	3.9787 mL
	10 mM	0.1989 mL	0.9947 mL	1.9893 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.