Neocryptotanshinone is a salvia diterpene extracted from Salvia Miltiorrhiza, which inhibits lipopolysaccharide (LPS)-induced inflammation by inhibiting NF-κB and iNOS signaling.

Physicochemical Properties

Molecular Formula	C19H22O4
Molecular Weight	314.38
Exact Mass	314.152
CAS #	109664-02-0
PubChem CID	389888
Appearance	Light yellow to yellow solid powder
Density	1.255g/cm3
Boiling Point	505.3ºC at 760 mmHg
Flash Point	273.5ºC
Vapour Pressure	4.93E-11mmHg at 25°C
Index of Refraction	1.602
LogP	2.963
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	23
Complexity	560
Defined Atom Stereocenter Count	1
SMILES	C[C@@H](CO)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)O
InChi Key	LGZFJHSOBYVDLA-JTQLQIEISA-N
InChi Code	InChI=1S/C19H22O4/c1-10(9-20)14-16(21)12-6-7-13-11(5-4-8-19(13,2)3)15(12)18(23)17(14)22/h6-7,10,20-21H,4-5,8-9H2,1-3H3/t10-/m0/s1
Chemical Name	1-hydroxy-2-[(2R)-1-hydroxypropan-2-yl]-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione
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: This product requires protection from light (avoid light exposure) during transportation and storage.
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	iNOS
ln Vitro	Neocryptotanshinone suppresses the NF-κB and iNOS signaling pathways to have an anti-inflammatory effect[1]. In RAW264.7 cells, neocryptotanshinone (10 μM and 20 μM, 24 h) suppresses the production of iNOS protein stimulated by LPS[1]. In mouse RAW264.7 macrophages, neocryptotanshinone (20 μM, 24 h) has no discernible cytotoxic effect[1].
ln Vivo	After 30, 60, and 120 minutes S, neocryptotanshinone reverses the lower pain thresholds brought on by MSU therapy. treated with miltiorrhiza Bunge extract (which has only one active ingredient)[3].
Cell Assay	Cell Viability Assay[1] Cell Types: RAW264.7 cells Tested Concentrations: 5, 10 and 20 μM Incubation Duration: 24 hrs (hours) Experimental Results: Inhibited LPS -induced cell viability in a dose-dependent manner. Western Blot Analysis[1] Cell Types: RAW264.7 cells Tested Concentrations: 20 μM Incubation Duration: 24 hrs (hours) Experimental Results: Inhibited LPS-induced activation of NF-κB pathway and down-regulated LPS -induced expression of p-NF-κB p65, p-IκBα and p-IKKβ.
Animal Protocol	Animal/Disease Models: MSU-induced pain model in male ICR mice (weighing 20 -25 g)[2] Doses: 10, 25, 50 or 100 mg/kg Route of Administration: Oral gavage; for 30, 60, 120 min Experimental Results: Inhibited inflammatory symptoms and nociceptive behaviors in a dose-dependent manner.
References	[1]. Neocryptotanshinone Inhibits Lipopolysaccharide-Induced Inflammation in RAW264.7 Macrophages by Suppression of NF-κB and iNOS Signaling Pathways. Acta Pharm Sin B. 2015 Jul;5(4):323-9. [2]. Two New Fatty Diterpenoids From Salvia Miltiorrhiza. J Nat Prod. 2001 May;64(5):648-50. [3]. Effects of Salvia miltiorrhiza Bunge extract and its single components on monosodium urate-induced pain in vivo and lipopolysaccharide-induced inflammation in vitro. J Tradit Chin Med. 2021. 41(2): 219-226.
Additional Infomation	1-hydroxy-2-[(2R)-1-hydroxypropan-2-yl]-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione has been reported in Salvia miltiorrhiza with data available.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (318.09 mM)

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	3.1809 mL	15.9043 mL	31.8086 mL
	5 mM	0.6362 mL	3.1809 mL	6.3617 mL
	10 mM	0.3181 mL	1.5904 mL	3.1809 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.