Introduction：Basic information about CAS 113443-70-2|Rhein-8-glucoside calcium salt, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Rhein-8-glucoside calcium salt |
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| CAS Number | 113443-70-2 | Molecular Weight | 484.423 |
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| Density | / | Boiling Point | 834.5ºC at 760mmHg |
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| Molecular Formula | C21H16CaO11 | Melting Point | / |
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| MSDS | / | Flash Point | 296.4ºC |
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Names
| Name | calcium,3-carboxy-9,10-dioxo-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-1,8-diolate |
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| Synonym | More Synonyms |
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Rhein-8-glucoside calcium salt BiologicalActivity
| Description | Rhein-8-glucoside calcium, an anthraquinone compound, is isolated from the EtOH extract of the roots of Saussurea lappa. Rhein-8-glucoside calcium is an hPTP1B inhibitor, with an IC50 of 11.5 μM. Rhein-8-glucoside calcium has antibacterial effects[1][2]. |
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| Related Catalog | Signaling Pathways >>Metabolic Enzyme/Protease >>PhosphataseResearch Areas >>InfectionResearch Areas >>Metabolic DiseaseSignaling Pathways >>Anti-infection >>Bacterial |
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| Target | IC50: 11.5 μM (hPTP1B)[1] |
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| References | [1]. Li S, et, al. PTP1B inhibitors from Saussrurea lappa. J Asian Nat Prod Res. Apr-May 2006;8(3):281-6. [2]. Zhang Y, et, al. Effects of Rhein-8-O-β-D-glucopyranoside on the Biofilm Formation of Streptococcus mutans. Curr Microbiol. 2020 Oct 31. [3]. Zhang LS, et, al. Rhein-8-O-β-D-glucopyranoside inhibited high glucose-induced apoptosis of human mesangial cells by regulating the lincRNA ANRIL/let-7a/TGF-β1/Smad signaling pathway. Exp Ther Med. 2020 Apr;19(4):2871-2878. |
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Chemical & Physical Properties
| Boiling Point | 834.5ºC at 760mmHg |
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| Molecular Formula | C21H16CaO11 |
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| Molecular Weight | 484.423 |
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| Flash Point | 296.4ºC |
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| Exact Mass | 484.031860 |
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| PSA | 207.71000 |
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| Vapour Pressure | 1.54E-29mmHg at 25°C |
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| InChIKey | XXVBCAMVOFYHJP-UHFFFAOYSA-L |
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| SMILES | O=C(O)c1cc([O-])c2c(c1)C(=O)c1c(C3OC(CO)C(O)C(O)C3O)ccc([O-])c1C2=O.[Ca+2] |
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| Storage condition | 2-8℃ |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- CB8782000
- CHEMICAL NAME :
- 2-Anthroic acid, 9,10-dihydro-9,10-dioxo-5-beta-D-glucopyranosyloxy-4- hydroxy-, calcium salt
- CAS REGISTRY NUMBER :
- 113443-70-2
- LAST UPDATED :
- 199109
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C21-H17-O11.Ca
- MOLECULAR WEIGHT :
- 485.46
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PHTOEH Pharmacology and Toxicology (Copenhagen). (Munksgaard International Pub., POB 2148, DK-1016 Copenhagen K, Denmark) V.60- 1987- Volume(issue)/page/year: 61,153,1987
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 400 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PHTOEH Pharmacology and Toxicology (Copenhagen). (Munksgaard International Pub., POB 2148, DK-1016 Copenhagen K, Denmark) V.60- 1987- Volume(issue)/page/year: 61,153,1987
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Synonyms
| Glucorein |
| Calcium (1S)-1,5-anhydro-1-(7-carboxylato-5-hydroxy-4-oxido-9,10-dioxo-9,10-dihydro-1-anthracenyl)-D-glucitol |
| Glucorhein |
| Rhein-8-glucoside calcium salt |
| D-Glucitol, 1,5-anhydro-1-C-(7-carboxy-9,10-dihydro-4,5-dihydroxy-9,10-dioxo-1-anthracenyl)-, calcium salt, (1S)- (1:1) |
| Rhein-8-O-Beta-D-glucopyranoside |
| 8-Glucosylrhein |
