CAS Number11024-24-1
SynonymsMFCD00077729; DigitoninGr; yl-(1.fwdarw.4); EINECS 234-255-6; DIGITIN; Digitonin,Digitin; Digitonin
Molecular FormulaC56H92O29
Molecular Weight1229.31
Purity50.00%
Density1.6±0.1 g/cm3
Melting Point230-240ºC
Appearancewhite solid
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 11024-24-1 |
| Catalog No. | 2A-9034985 |
| Chinese Name | 毛地黄皂苷 |
| Synonyms | MFCD00077729; DigitoninGr; yl-(1.fwdarw.4); EINECS 234-255-6; DIGITIN; Digitonin,Digitin; Digitonin |
| Molecular Formula | C56H92O29 |
| Molecular Weight | 1229.31 |
| Purity | 50.00 |
| Density | 1.6±0.1 g/cm3 |
| Melting Point | 230-240ºC |
| Appearance | white solid |
| Storage Condition | Seal in a cool, dry place. |
| Packaging | II |
| Application | Digitonin is a glycoside extracted from digitalis, which can increase the permeability of cell membranes by binding to cholesterol molecules and inhibit tumor growth. |
| HTC | 29389090 |
| PubChem ID | 605312 |
| SMILES | CC1CCC2(OC1)OC1C(O)C3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C1C2C |
| InChI | InChI=1S/C56H92O29/c1-19-7-10-56(75-17-19)20(2)31-45(85-56)37(67)32-22-6-5-21-11-26(24(61)12-55(21,4)23(22)8-9-54(31,32)3)76-50-42(72)39(69)44(30(16-60)80-50)81-53-48(47(36(66)29(15-59)79-53)83-49-40(70)33(63)25(62)18-74-49)84-52-43(73)46(35(65)28(14-58)78-52)82-51-41(71)38(68)34(64)27(13-57)77-51/h19-53,57-73H,5-18H2,1-4H3/t19?,20-,21-,22+,23-,24+,25+,26+,27+,28+,29+,30+,31-,32+,33-,34+,35-,36+,37-,38-,39+,40+,41+,42+,43+,44-,45+,46-,47-,48+,49-,50+,51-,52-,53-,54+,55-,56+/m0/s1 |
| InChI Key | UVYVLBIGDKGWPX-YCCXZQINSA-N |
| Hazard Symbols | 6.1(a) |
| Bioactivity | Digitonin, a glycoside obtained from Digitalis purpurea, could increase cell permeability by binding to cholesterol molecules and reduce tumor growth. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Cancer Natural Products >> Saccharides and Glycosides In Vitro Digitonin, a detergent that increases cell permeability by binding to cholesterol molecules in the cell membrane, can increase cisplatin accumulation and reduce tumour growth in vitro[1]. In Vivo In the liver parenchyma the concentrations are of the same magnitude. Measured with the 133Xe-clearance technique, Digitonin does not alter the tumor blood flow. Digitonin enhances the tumor-growth retarding effect of CBDCA given intra-aterially at 5 mg/kg but not at 25 mg/kg[1]. References [1]. Lindnér PG, et al. Digitonin enhances the efficacy of carboplatin in liver tumour after intra-arterial administration. Cancer Chemother Pharmacol. 1997;40(5):444-8. Chemical & Physical Properties Density 1.6±0.1 g/cm3 Melting Point 230-240ºC Molecular Formula C56H92O29 Molecular Weight 1229.312 Exact Mass 1228.572388 PSA 454.67000 LogP -0.62 Index of Refraction 1.660 InChIKey UVYVLBIGDKGWPX-YCCXZQINSA-N SMILES CC1CCC2(OC1)OC1C(O)C3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C1C2C |
| Use of | Digitonin, a glycoside obtained from Digitalis purpurea, could increase cell permeability by binding to cholesterol molecules and reduce tumor growth. Properties Articles204 Name digitonin Synonym More Synonyms Digitonin Biological Activity Description Digitonin, a glycoside obtained from Digitalis purpurea, could increase cell permeability by binding to cholesterol molecules and reduce tumor growth. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Cancer Natural Products >> Saccharides and Glycosides In Vitro Digitonin, a detergent that increases cell permeability by binding to cholesterol molecules in the cell membrane, can increase cisplatin accumulation and reduce tumour growth in vitro[1]. References [1]. Lindnér PG, et al. Digitonin enhances the efficacy of carboplatin in liver tumour after intra-arterial administration. Cancer Chemother Pharmacol. 1997;40(5):444-8. Chemical & Physical Properties Molecular Formula C56H92O29 Exact Mass 1228.572388 PSA 454.67000 LogP -0.62 Index of Refraction 1.660 InChIKey UVYVLBIGDKGWPX-YCCXZQINSA-N |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Danger Regulations: 3462 International Maritime Transport Danger Regulations: 3462 International Air Transport Danger Regulations: 3462 14.2 United Nations shipping name European Land Transport Dangerous Regulations: TOXINS EXTRACTED FROM LIVING SOURCES, SOLID, N.O.S. (Digitonin) IMDG Code: TOXINS, EXTRACTED FROM LIVING SOURCES, SOLID, N.O.S. (Digitonin) International air transport hazard regulations: Toxins, extracted from living sources, solid, n.o.s. (Digitonin) 14.3 Transport hazard categories European Land Transport Danger Regulations: 6.1 International Maritime Transport Danger Regulations: 6.1 International Air Transport Danger Regulations: 6.1 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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