Introduction：Basic information about CAS 40505-27-9|4'-demethylpodophyllotoxin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4'-demethylpodophyllotoxin |
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| CAS Number | 40505-27-9 | Molecular Weight | 400.37900 |
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| Density | 1.446 g/cm3 | Boiling Point | 626.5ºC at 760 mmHg |
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| Molecular Formula | C21H20O8 | Melting Point | / |
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| MSDS | / | Flash Point | 224.4ºC |
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Names
| Name | 4'-demethylpodophyllotoxin |
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| Synonym | More Synonyms |
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4'-demethylpodophyllotoxin BiologicalActivity
| Description | 4'-Demethylpodophyllotoxin is an aryltetralin lignin contained in the root of Podophyllum hexandrum and P. peltatum. 4'-Demethylpodophyllotoxin exhibits cytotoxic potential in diverse cancer cell lines[1][2]. |
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| Related Catalog | Research Areas >>CancerSignaling Pathways >>Others >>Others |
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| References | [1]. David E.Jackson, et al. Aryltetralin lignans from Podophyllum hexandrum and Podophyllum peltatum. Phytochemistry, 1984, 23(5): 1147-1152. [2]. Zilla MK, et al. 4'-Demethyl-deoxypodophyllotoxin glucoside isolated from Podophyllum hexandrum exhibits potential anticancer activities by altering Chk-2 signaling pathway in MCF-7 breast cancer cells. Chem Biol Interact. 2014 Dec 5;224:100-7. |
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Chemical & Physical Properties
| Density | 1.446 g/cm3 |
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| Boiling Point | 626.5ºC at 760 mmHg |
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| Molecular Formula | C21H20O8 |
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| Molecular Weight | 400.37900 |
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| Flash Point | 224.4ºC |
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| Exact Mass | 400.11600 |
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| PSA | 103.68000 |
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| LogP | 2.10620 |
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| Index of Refraction | 1.637 |
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| InChIKey | YVCVYCSAAZQOJI-BTINSWFASA-N |
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| SMILES | COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1O |
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| Storage condition | -20℃ |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- LV2476100
- CAS REGISTRY NUMBER :
- 40505-27-9
- BEILSTEIN REFERENCE NO. :
- 0099005
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C21-H20-O8
- MOLECULAR WEIGHT :
- 400.41
- WISWESSER LINE NOTATION :
- T E5 C665 FVO NO PO OHTT&&J DR DQ CO1 EO1& JQ
HEALTH HAZARD DATAACUTE TOXICITY DATAMUTATION DATA - TYPE OF TEST :
- Mutation test systems - not otherwise specified
- TEST SYSTEM :
- Human HeLa cell
- DOSE/DURATION :
- 40 umol/L
- REFERENCE :
- BICHAW Biochemistry. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1962- Volume(issue)/page/year: 15,5443,1976
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Synonyms
| 4-demethylepipodophyllotoxin |
| 4'-O-demethylpodophyllotoxin |
| 4'-Demethylpodophyllotoxin |
| (5R,5aR,8aR,9R)-5-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one |
