1H-Indazole-3-carboxylic acid,4,5,6,7-tetrahydro-, ethyl ester
aloe-emodine
CAS: 481-72-1
Molecular Formula: C15H10O5
1H-Indazole-3-carboxylic acid,4,5,6,7-tetrahydro-, ethyl ester - Names and Identifiers
| Name | aloe-emodine |
| Synonyms | NSC 38628 Aloeemodin Aloe-eModol Aloe Emodin Aloe-Emodin aloe-emodine Diacerein IMpurity B 3-HydroxyMethylchrysazine Aloe-eModine, froM RheuM palMatuM 1,8-dihydroxy-3-hydroxymethyl-anthraquinon 1,8-Dihydroxy-3-(hydroxymethyl)anthraquinone 1,3,8-trihydroxy-6-methylanthracene-9,10-dione 1,8-dihydroxy-3-(hydroxymethyl)-10-anthracenedione 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione 1H-Indazole-3-carboxylic acid,4,5,6,7-tetrahydro-, ethyl ester |
| CAS | 481-72-1 |
| EINECS | 207-571-7 |
| InChI | InChI=1/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2 |
| InChIKey | YDQWDHRMZQUTBA-UHFFFAOYSA-N |
1H-Indazole-3-carboxylic acid,4,5,6,7-tetrahydro-, ethyl ester - Physico-chemical Properties
| Molecular Formula | C15H10O5 |
| Molar Mass | 270.24 |
| Density | 1.3280 (rough estimate) |
| Melting Point | 223-224°C |
| Boling Point | 373.35°C (rough estimate) |
| Flash Point | 311.9°C |
| Solubility | Soluble in acetaldehyde, benzene, hot ethanol, dilute ammonia, sodium carbonate and sodium hydroxide aqueous solutions. Soluble in hot ethanol. It is yellow in ether and benzene, and crimson in ammonia and sulfuric acid. |
| Vapor Presure | 8.9E-14mmHg at 25°C |
| Appearance | Orange needle crystal (toluene), or khaki crystal powder. |
| Color | Orange to Dark Orange |
| Merck | 14,306 |
| BRN | 2059062 |
| pKa | 6.30±0.20(Predicted) |
| Storage Condition | 2-8°C |
| Stability | Hygroscopic |
| Refractive Index | 1.5000 (estimate) |
| MDL | MFCD00017373 |
| Physical and Chemical Properties | Soluble in acetaldehyde, benzene, hot ethanol, dilute ammonia, sodium carbonate and sodium hydroxide aqueous solution. Soluble in hot ethanol. In ether and benzene was yellow, ammonia and sulfuric acid showed a red. Rhizome derived from Polygonaceae plant Rheum palmatum L. |
1H-Indazole-3-carboxylic acid,4,5,6,7-tetrahydro-, ethyl ester - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| WGK Germany | 3 |
| RTECS | CB6712200 |
| FLUKA BRAND F CODES | 10 |
| HS Code | 29146990 |
1H-Indazole-3-carboxylic acid,4,5,6,7-tetrahydro-, ethyl ester - Reference Information
| plant source: | aloe |
| Efficacy and role | Aloe-emodin is the antibacterial active ingredient of rhubarb. It is an orange needle-like crystal (toluene) or khaki crystal powder Chemical items, aloe-emodin can be extracted from aloe. Aloe-emodin has many benefits to human health, with anti-tumor activity, antibacterial activity, immunosuppressive effect, and purgative effect, now widely used as raw materials for medicines and cosmetics. Anti-tumor effect: In recent years, scholars at home and abroad have been interested in the anti-tumor effect of aloe-emodin. Its main anti-tumor activity is concentrated in neuroectodermal tumors, liver cancer, lung squamous cell carcinoma, skin Merkel cell carcinoma, gastric cancer, leukemia and other tumors, and has a wide range of anti-cancer. Aloe-emodin has an inhibitory effect on P388 leukemia cells and can prolong survival. One of its mechanisms is to inhibit the biosynthesis of DNA, RNA and protein in cancer cells. antibacterial activity: at the concentration of 1.5~25 mg/ml, aloe-emodin has inhibitory effect on staphylococcus, streptococcus, diphtheria bacillus, Bacillus subtilis, anthrax, paratyphoid bacillus, dysentery bacillus, etc., among which staphylococcus and streptococcus are the most sensitive, and the effective concentration of bacteriostasis is 15-25ug/ml. The inhibitory concentrations of Staphylococcus aureus 209P, Escherichia coli and Shigella flexneri in vitro were 7.5mg/L and 600mg/L respectively, and their antibacterial effects were antibacterial rather than bactericidal. One of its mechanisms of action is to inhibit electron transfer in mitochondrial respiratory chain. Aloe-emodin has a strong inhibitory effect on nucleic acid and protein synthesis of Staphylococcus aureus. Aloe-emodin has a strong inhibitory effect on common anaerobic bacteria in clinic, among which it can inhibit the growth of 90% ~ 100% strains on common fragile bacilli, and its MIC is slightly higher than metronidazole. Anaerobic bacteria of 76% ~ 91% can be inhibited at a concentration of 8 μg/ml. immunosuppressive effect: aloe-emodin can inhibit the production of biological antibodies, inhibit the ability of carbon particle clearance, reduce the weight of immune organs, reduce the number of white blood cells, and reduce the function of peritoneal macrophages. In vitro concentration of 100 μg/ml has obvious inhibitory effect on [3H]-TDR and [3H]Urd entering lymphocytes. purgative effect: aloe-emodin has strong purgative activity, intestinal bacteria metabolize aloe-emodin, rhein, rhein anthrone, the latter has strong purgative effect. It is clinically used as a laxative and has the effects of increasing appetite and laxative of the large intestine. According to foreign medical reports, aloin is hydrolyzed into aloe-emodin under the action of parasitic bacteria in the human body. This aloe-emodin stimulates the peristalsis of the intestinal wall. At the same time, due to changes in osmotic pressure, it is conducive to the elimination of waste in the intestinal tract. So as to achieve irritation and laxation, this stimulating and laxative effect has a special effect on constipation and hemorrhoids. Especially for middle-aged and elderly constipation, the treatment effect is more obvious. |
| rhubarb | rhubarb is a commonly used Chinese medicine. It was first published in "Shen Nong's Materia Medica" and listed as inferior. Materia Medica has been recorded in the past dynasties. Rhubarb is the dry root and rhizome of the Polygonaceae plant, the palm-leaved rhubarb, the Tanggu extra yellow or the medicinal rhubarb Rheum officinale Baill. Mainly produced in Sichuan, Gansu, Qinghai and other places. Rhubarb has the effects of purging heat and clearing the intestines, cooling blood and detoxifying, removing blood stasis and dredging the meridian. It is used for constipation with real heat, accumulated abdominal pain, diarrhea and dysentery, damp-heat jaundice, blood-heat vomiting, red eyes, pharyngeal swelling, intestinal carbuncle Abdominal pain, carbuncle swelling, boils, blood stasis, amenorrhea, and bruises. External treatment of water and fire burns, upper gastrointestinal bleeding, etc. Can be used raw or roasted, steamed or fried charcoal. Rhubarb has antibacterial effect on most Gram-positive bacteria and some Gram-negative bacteria in test tubes. The active ingredients are mainly anthraquinone derivatives, among which aloe-emodin, emodin and rhein have the best effect. it has inhibitory effect on mouse leukemia P388: rhein, emodin and aloe emodin were extracted from rhubarb. These three anthraquinone derivatives all reduce the amount of ascites and the number of cancer cells in tumor mice to varying degrees. Among them, the effect of rhein is more obvious, and aloe-emodin is worse, which is basically parallel to prolonging survival. Rhein and emodin have strong inhibitory effects on DNA, RNA and protein biosynthesis, while aloe-emodin has weak inhibitory effects. fig. 1 is Baill, a medicinal rhubarb Rheum officinale. |
| biological activity | Aloe-emodin (NSC 38628, Rhabarberone) is an interferon inducer that acts on JEV,IC50 is 1 μg/mL, EV71,IC50 is 0.33 μg/mL. |
| use | used for content determination/identification/pharmacological experiments, etc. Pharmacological effects: It has anti-tumor activity, antibacterial activity, immunosuppressive effect, and purgative effect. It is now widely used as raw materials for medicines and cosmetics. |
Last Update：2024-04-09 21:01:54
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