113443-70-2

• 常用中文名：大黄酸-8-葡萄糖苷钙盐
• 常用英文名：Rhein-8-glucoside calcium salt
• CAS号：113443-70-2
• 分子式：C₂₁H₁₆CaO₁₁
• 分子量：484.423
• 相关类别： 信号通路 抗感染 细菌
• 发布时间：2019-01-29 17:27:18
• 更新时间：2024-01-12 18:19:20
• Rhein-8-glucoside calcium,一种从 Saussurea lappa 根的 EtOH 提取物中分离得到的蒽醌化合物。Rhein-8-glucoside calcium 是一种 hPTP1B 抑制剂,IC50 值为11.5 μM。Rhein-8-glucoside calcium 具有抗菌作用。

名称

• 中文名: 大黄酸-8-O-β-D-葡萄糖苷
• 英文名: 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
• 中文别名: 大黄酸-8-O-Beta-D-葡萄糖苷
• 英文别名: 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

物化性质

• 沸点: 834.5ºC at 760mmHg
• 分子式: C₂₁H₁₆CaO₁₁
• 分子量: 484.423
• 闪点: 296.4ºC
• 精确质量: 484.031860
• PSA: 207.71000
• 蒸汽压: 1.54E-29mmHg at 25°C
• 储存条件: 2-8℃

生物活性

• 描述: Rhein-8-glucoside calcium,一种从 Saussurea lappa 根的 EtOH 提取物中分离得到的蒽醌化合物。Rhein-8-glucoside calcium 是一种 hPTP1B 抑制剂,IC50 值为11.5 μM。Rhein-8-glucoside calcium 具有抗菌作用。
• 相关类别:
  信号通路 >> 代谢酶/蛋白酶 >> 磷酸酶
  研究领域 >> 感染
  研究领域 >> 代谢疾病
  信号通路 >> 抗感染 >> 细菌
• 靶点:

  IC50: 11.5 μM (hPTP1B)[1]

• 参考文献:

  [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.

毒性和生态

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 DATA ACUTE 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