Introduction：Basic information about CAS 104012-37-5|Tussilagone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Tussilagone |
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| CAS Number | 104012-37-5 | Molecular Weight | 390.513 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 471.3±35.0 °C at 760 mmHg |
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| Molecular Formula | C23H34O5 | Melting Point | / |
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| MSDS | / | Flash Point | 200.7±26.0 °C |
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Names
| Name | [(1R,3aR,5R,7S,7aS)-1-(1-acetyloxyethyl)-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] (E)-3-methylpent-2-enoate |
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| Synonym | More Synonyms |
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Tussilagone BiologicalActivity
| Description | Tussilagone, a major active component in Tussilago farfara, has anti-inflammatory effect. Tussilagone ameliorates inflammatory responses in dextran sulphate sodium-induced murine colitis. Tussilagone inhibits the inflammatory response and improves survival in cecal ligation and puncture (CLP)-induced septic mice[1][2]. |
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| Related Catalog | Signaling Pathways >>Others >>OthersResearch Areas >>Inflammation/Immunology |
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| In Vitro | Tussilagone suppressed the expression of the inflammatory mediators, nitric oxide and prostaglandin E2, and the inflammatory cytokines, tumor necrosis factor-alpha (TNF-α) and high-mobility group box 1 (HMGB1), in lipopolysaccharide-stimulated RAW 264.7 cells and peritoneal macrophages. Tussilagone also reduced the activation of the mitogen-activated protein kinases and nuclear factor kappa-light-chain-enhancer of activated B cells (NF-κB) involved in the activation of various inflammatory mediators in activated macrophages[1]. |
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| In Vivo | Tussilagone administration (1 mg/kg and 10 mg/kg) produced decreased mortality and lung injury in CLP-activated septic mice. Augmented expression of cyclooxygenase (COX)-2 and TNF-α in pulmonary alveolar macrophages of septic mice were attenuated by tussilagone administration[2]. |
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| References | [1]. Cheon HJ, et al. Tussilagone, a major active component in Tussilago farfara, ameliorates inflammatory responses in dextran sulphate sodium-induced murine colitis. Chem Biol Interact. 2018 Oct 1;294:74-80. [2]. Kim YK, et al. Tussilagone Inhibits the Inflammatory Response and Improves Survival in CLP-Induced SepticMice. Int J Mol Sci. 2017 Dec 18;18(12). pii: E2744. |
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Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
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| Boiling Point | 471.3±35.0 °C at 760 mmHg |
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| Molecular Formula | C23H34O5 |
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| Molecular Weight | 390.513 |
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| Flash Point | 200.7±26.0 °C |
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| Exact Mass | 390.240631 |
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| PSA | 69.67000 |
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| LogP | 5.03 |
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| Vapour Pressure | 0.0±1.2 mmHg at 25°C |
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| Index of Refraction | 1.502 |
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| InChIKey | CFUPNMDNSQIWBB-ACCKDKKQSA-N |
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| SMILES | C=C1C(OC(=O)C=C(C)CC)CC(C(C)C)C2C1CC(=O)C2C(C)OC(C)=O |
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| Storage condition | -20°C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- SB3100000
- CHEMICAL NAME :
- 2-Pentenoic acid, 3-methyl-, 1-(1-(acetyloxy)ethyl)octahydro-4-methylene-7-(1-meth ylethyl)-2- oxo-1H-inden-5-yl ester, (1S-(1-alpha(S*),3a-beta,5-beta(E),7-alpha,7a-alpha)) -
- CAS REGISTRY NUMBER :
- 104012-37-5
- LAST UPDATED :
- 198909
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C23-H34-O5
- MOLECULAR WEIGHT :
- 390.57
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 28900 ug/kg
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - dyspnea Lungs, Thorax, or Respiration - respiratory stimulation Lungs, Thorax, or Respiration - other changes
- REFERENCE :
- GEPHDP General Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.6- 1975- Volume(issue)/page/year: 19,261,1988
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Safety Information
| Hazard Codes | Xi |
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| Safety Phrases | 24/25 |
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| HS Code | 29389090 |
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Synonyms
| (1S,3aS,5R,7S,7aS)-1-[(1R)-1-Acetoxyethyl]-7-isopropyl-4-methylene-2-oxooctahydro-1H-inden-5-yl (2E)-3-methyl-2-pentenoate |
| Tussilagone |
| 2-Pentenoic acid, 3-methyl-, (1S,3aS,5R,7S,7aS)-1-[(1R)-1-(acetyloxy)ethyl]octahydro-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-yl ester, (2E)- |
