Introduction：Basic information about CAS 3776-39-4|Enmein, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Enmein |
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| CAS Number | 3776-39-4 | Molecular Weight | 362.417 |
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| Density | 1.4±0.1 g/cm3 | Boiling Point | 610.3±55.0 °C at 760 mmHg |
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| Molecular Formula | C20H26O6 | Melting Point | 274-276℃ (Decomposition) (ethanol ) |
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| MSDS | / | Flash Point | 220.1±25.0 °C |
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Names
| Name | Enmein |
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| Synonym | More Synonyms |
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Enmein BiologicalActivity
| Description | Enmein is isolated from I. serra with immunosuppressive effect[1]. |
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| Related Catalog | Signaling Pathways >>Others >>Others |
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| In Vitro | Enmein shows significant inhibitory effect toward K562 with an IC50 value ranging from 3.2 μg/ml to 8.2 μg/ml[2]. Enmein (3.13-25 μg/ml; 48 hours) has inhibitory effect on lymphocytes with significant difference within concentration from 6.25 μg/ml to 25 μg/ml[1]. Enmein (5.5-22 μg/ml; 48 hours) causes the percentage of S stage cells decreased from 19% to 6%, causes the percentage of G2/M stage cells to decrease from 2% to 0.4%[1]. Cell Viability Assay[1] Cell Line: Splenic lymphocyte cells Concentration: 3.13, 6.25, 12.5, 25 μg/ml Incubation Time: 48 hours Result: Exhibited an IC50 value of 17 μg/ml in splenic lymphocytes. Cell Cycle Analysis[1] Cell Line: Splenic lymphocyte cells Concentration: 5.5 μg/ml, 11 μg/ml, 22 μg/ml Incubation Time: 48 hours Result: Caused S stage cells and G2/M stage cells decreased. |
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| In Vivo | Enmein (inject to ear; 6.52-13.04 mg/kg; 5 days) inhibits the xylene-induced ear swelling and inhibits IL-2 expression[1]. Animal Model: Balb/c mice[1] Dosage: 6.52 mg/kg, 9.78 mg/kg or 13.04 mg/kg Administration: Injected to ear; 6.52 mg/kg, 9.78 mg/kg or 13.04 mg/kg; 5 days Result: Had inhibitory effect on IL-2 release in blood. |
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| References | [1]. Zhang Y, et al. Distinct immunosuppressive effect by Isodon serra extracts. Int Immunopharmacol. 2005 Dec;5(13-14):1957-65. Epub 2005 Jul 13. [2]. Jiang B, et al. Cytotoxic ent-kaurane diterpenoids from Isodon sculponeata. Planta Med. 2002 Oct;68(10):921-5. |
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Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
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| Boiling Point | 610.3±55.0 °C at 760 mmHg |
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| Melting Point | 274-276℃ (Decomposition) (ethanol ) |
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| Molecular Formula | C20H26O6 |
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| Molecular Weight | 362.417 |
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| Flash Point | 220.1±25.0 °C |
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| Exact Mass | 362.172943 |
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| PSA | 93.06000 |
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| LogP | -0.30 |
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| Vapour Pressure | 0.0±4.0 mmHg at 25°C |
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| Index of Refraction | 1.602 |
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| InChIKey | MQOJPNKACWKUGI-CDKPERABSA-N |
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| SMILES | C=C1C(=O)C23CC1CCC2C12COC(O)C1C(C)(C)C(O)CC2OC3=O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- PB9183000
- CHEMICAL NAME :
- 5H-5a,8-Methano-11H-cyclohepta(c)furo(3,4-e)(1)benzop yran-5,6(7H)-dione, decahydro-2, 13-dihydroxy-1,1-dimethyl-7-methylene-, (2S,3as,5as,7R,8R,10aS,10bS,13R,13aR)-
- CAS REGISTRY NUMBER :
- 3776-39-4
- BEILSTEIN REFERENCE NO. :
- 0047118
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C20-H26-O6
- MOLECULAR WEIGHT :
- 362.46
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 145 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JAJAAA Journal of Antibiotics, Series A. (Tokyo, Japan) V.6-20, 1953-67. For publisher information, see JANTAJ. Volume(issue)/page/year: 16,132,1963
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Safety Information
Synonyms
| (1S,4S,6S,8R,9R,12S,13S,16R)-6,9-Dihydroxy-7,7-dimethyl-17-methylene-3,10-dioxapentacyclo[14.2.1.0.0.0]nonadecane-2,18-dione |
| 5H-5a,8-Methano-11H-cyclohepta[c]furo[3,4-e][1]benzopyran-5,6(7H)-dione, decahydro-2,13-dihydroxy-1,1-dimethyl-7-methylene-, (2S,3aS,5aS,8R,10aS,10bS,13R,13aR)- |
| 5H-5a,8-Methano-11H-cyclohepta(c)furo(3,4-e)(1)benzopyran-5,6(7H)-dione, decahydro-2,13-dihydroxy-1,1-dimethyl-7-methylene-, (2S,3as,5as,7R,8R,10aS,10bS,13R,13aR)- |
