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| Targets |
iNOS
NF-kappaB and iNOS (inducible Nitric Oxide Synthase). |
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| 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].
Neocryptotanshinone inhibits lipopolysaccharide (LPS)-induced inflammation in RAW264.7 macrophages by suppressing the NF-kappaB and iNOS signaling pathways. It downregulates iNOS expression and reduces NO production. The compound also enhances lysosomal fusion and hydrolysis, limiting oxidative stress and apoptosis, indicating additional cytoprotective mechanisms beyond NF-kappaB inhibition. |
| 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].
No detailed in vivo activity data is publicly available for neocryptotanshinone. Given its mechanism, it is expected to exhibit anti-inflammatory activity in murine models of sepsis (LPS-induced endotoxemia), reducing serum NO levels and pro-inflammatory cytokines. It may also show protective effects in models of oxidative stress-related disorders such as ischemia-reperfusion injury. |
| Enzyme Assay |
Not available. A generic NF-kappaB binding/DNA binding assay can be performed. Nuclear extracts from LPS-stimulated RAW264.7 macrophages (10 microg) are incubated with 32P-labeled NF-kappaB consensus oligonucleotide probe (5′-GGGGACTTTCC-3′) in binding buffer (10 mM Tris-HCl pH 7.5, 50 mM NaCl, 0.5 mM DTT, 0.5 mM EDTA, 1 mM MgCl2, 4% glycerol, 0.05 mg/mL poly(dI-dC)) for 20 min at room temperature. Neocryptotanshinone (0-100 microM) is added to the nuclear extract before probe addition. Protein-DNA complexes are resolved by 4% non-denaturing polyacrylamide gel electrophoresis and visualized by autoradiography. For iNOS enzymatic inhibition, recombinant iNOS (0.1 U) is incubated with L-arginine (10 microM), NADPH (1 mM), and neocryptotanshinone (0.1-100 microM) for 60 min at 37degC, and NO production is measured by Griess assay.
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| 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. RAW264.7 mouse macrophages are seeded in 6-well plates (1×10⁶/well) in DMEM with 10% FBS. Cells are pre-incubated with neocryptotanshinone (0-100 microM) for 1 h, then stimulated with LPS (1 microg/mL) for 24 h. Supernatants are collected for nitrite measurement by Griess assay. Cell lysates are analyzed by Western blot for iNOS and COX-2 expression. NF-kappaB activation is assessed by IkappaBalpha degradation (Western blot) and NF-kappaB p65 nuclear translocation (immunofluorescence or nuclear fractionation followed by Western blot). For oxidative stress assessment, cells are treated with H2O2 (100-200 microM) and neocryptotanshinone (0-50 microM) for 6 h, and reactive oxygen species (ROS) levels are measured using DCFH-DA fluorescent probe (λex=485 nm, λem=528 nm). Apoptosis is assessed by Annexin V/PI flow cytometry and caspase-3 activity assay. |
| 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. No animal protocol is published. Generic protocol for anti-inflammatory natural products: female BALB/c mice (6-8 weeks, n=8/group) are administered neocryptotanshinone orally or intraperitoneally at 10-50 mg/kg in 0.5% methylcellulose or 10% DMSO/90% corn oil. One hour later, LPS (5-10 mg/kg) is injected i.p. Blood is collected 4-6 h post-LPS for serum NO, TNF-alpha, IL-6, and IL-1beta measurement by Griess assay and ELISA. Livers and lungs are harvested for iNOS and COX-2 expression analysis by Western blot and qPCR. Tissue sections are stained with H&E to assess inflammatory infiltration. For acute toxicity, mice are observed for 14 days after a single dose. |
| ADME/Pharmacokinetics |
No PK data reported for neocryptotanshinone. Generic PK for diterpenoids from Salvia miltiorrhiza: in rats, oral administration (20-100 mg/kg) results in Cmax of 0.1-2 microM, Tmax of 0.5-2 h, t1/2 of 2-6 h. Oral bioavailability is often moderate (20-50%). The compound may undergo extensive Phase II metabolism (glucuronidation, sulfation). Plasma protein binding is typically high (>90%). Volume of distribution (Vd) is moderate (1-3 L/kg). Clearance ranges from 10-30 mL/min/kg.
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| Toxicity/Toxicokinetics |
No toxicity data reported. Generic acute oral toxicity for natural diterpenoids: ICR mice (5/sex/group) receive single oral doses of neocryptotanshinone at 100, 300, 1000 mg/kg. Animals are observed for 14 days for mortality, body weight, clinical signs, and food consumption. At termination, gross necropsy and histopathology of liver, kidney, spleen, heart, lung, and GI tract are performed. The LD50 is typically >1000 mg/kg for many natural products from Danshen, indicating low acute toxicity. Subchronic toxicity (28-day) studies in rats at doses up to 200 mg/kg/day may be conducted to evaluate target organs (liver, kidney).
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| References | |
| Additional Infomation |
Reports indicate that Danshen contains 1-hydroxy-2-[(2R)-1-hydroxypropyl-2-yl]-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione, and there is relevant data.
Neocryptotanshinone is a natural product isolated from Salvia miltiorrhiza (Danshen), a plant used in traditional Chinese medicine for cardiovascular diseases. It is a research-grade compound used for studying anti-inflammatory mechanisms, particularly the NF-kappaB/iNOS pathway and lysosomal function. Neocryptotanshinone is not FDA-approved and has not entered clinical trials. It belongs to the tanshinone family of diterpenoids, which includes tanshinone I, tanshinone IIA, and cryptotanshinone. The compound may have potential for development as an anti-inflammatory or cytoprotective agent, but further preclinical and clinical studies are required. |
| Molecular Formula |
C19H22O4
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|---|---|
| Molecular Weight |
314.38
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| Exact Mass |
314.152
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| CAS # |
109664-02-0
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| PubChem CID |
389888
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.255g/cm3
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| Boiling Point |
505.3ºC at 760 mmHg
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| Flash Point |
273.5ºC
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| Vapour Pressure |
4.93E-11mmHg at 25°C
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| Index of Refraction |
1.602
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| LogP |
2.963
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
23
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| Complexity |
560
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| Defined Atom Stereocenter Count |
1
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| SMILES |
C[C@@H](CO)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)O
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| InChi Key |
LGZFJHSOBYVDLA-JTQLQIEISA-N
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| 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
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| Chemical Name |
1-hydroxy-2-[(2R)-1-hydroxypropan-2-yl]-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
DMSO: 100 mg/mL (318.09 mM)
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| 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
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *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). View More
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)] 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). View More
Oral Formulation 3: Dissolved in PEG400 (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.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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