Introduction：Basic information about CAS 82-89-3|Prodigiosine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Prodigiosine |
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| CAS Number | 82-89-3 | Molecular Weight | 323.43 |
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| Density | 1.12g/cm3 | Boiling Point | 542.4ºC at 760 mmHg |
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| Molecular Formula | C20H25N3O | Melting Point | / |
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| MSDS | / | Flash Point | 281.8ºC |
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Names
| Name | prodigiosin |
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| Synonym | More Synonyms |
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Prodigiosine BiologicalActivity
| Description | Prodigiosin (Prodigiosine) is a secondary metabolite of Symbiotic bacteria, with anti-fungal and anti-cancer activity[1][2]. |
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| Related Catalog | Research Areas >>CancerResearch Areas >>InfectionSignaling Pathways >>Anti-infection >>Fungal |
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| Target | Fungal[1] |
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| References | [1]. Woodhams DC, et al. Prodigiosin, Violacein, and Volatile Organic Compounds Produced by Widespread Cutaneous Bacteria of Amphibians Can Inhibit Two Batrachochytrium Fungal Pathogens. Microb Ecol. 2018 May;75(4):1049-1062. [2]. Wang Z, et al. Prodigiosin inhibits Wnt/β-catenin signaling and exerts anticancer activity in breast cancer cells. Proc Natl Acad Sci U S A. 2016 Nov 15;113(46):13150-13155. |
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Chemical & Physical Properties
| Density | 1.12g/cm3 |
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| Boiling Point | 542.4ºC at 760 mmHg |
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| Molecular Formula | C20H25N3O |
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| Molecular Weight | 323.43 |
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| Flash Point | 281.8ºC |
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| Exact Mass | 323.20000 |
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| PSA | 53.17000 |
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| LogP | 4.77610 |
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| Index of Refraction | 1.591 |
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| InChIKey | SHUNBVWMKSXXOM-XDHOZWIPSA-N |
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| SMILES | CCCCCc1cc(C=C2N=C(c3ccc[nH]3)C=C2OC)[nH]c1C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DW2977000
- CHEMICAL NAME :
- 2,2'-Bipyrrole, 4-methoxy-5-((5-methyl-4-pentyl-2H-pyrrol-2-ylidene)m ethyl)-
- CAS REGISTRY NUMBER :
- 82-89-3
- BEILSTEIN REFERENCE NO. :
- 4526727
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C20-H25-N3-O
- MOLECULAR WEIGHT :
- 323.48
- WISWESSER LINE NOTATION :
- T5NYJ D5 E1 BU1- BT5MJ CO1 E- BT5MJ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 18 mg/kg
- TOXIC EFFECTS :
- Tumorigenic - active as anti-cancer agent
- REFERENCE :
- JKXXAF Japanese Kokai Tokyo Koho Patents. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #80-162768
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 10 mg/kg
- TOXIC EFFECTS :
- Tumorigenic - active as anti-cancer agent
- REFERENCE :
- JKXXAF Japanese Kokai Tokyo Koho Patents. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #80-162768
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Safety Information
| Safety Phrases | S26-S36 |
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| HS Code | 3204151000 |
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Customs
Synonyms
| 4-Methoxy-5-(4-pentyl-5-methyl-2H-pyrrole-2-ylidenemethyl)-2,2'-bi[1H-pyrrole] |
| 4-Methoxy-5-[(5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl],2,2'bipyrrole |
| 4-Methoxy-5-[(5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl]-2,2'-bi[1H-pyrrole] |
| Prodigiosine |
| PRODIGIOSIN |
| 4-Methoxy-5-[(5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl]-2,2'-bi[1H-pyrrol] |
| 2,2'-Bi-1H-pyrrole,4-Methoxy-5-[(5-Methyl-4-pentyl-2H-pyrrol-2-ylidene)Methyl] |
