365645

穿心莲内酯

98%

• 别名: 穿心莲内酯, 脱水穿心莲内酯
• 经验公式（希尔记法）: C₂₀H₃₀O₅
• CAS号: 5508-58-7
• 分子量: 350.45
• Beilstein: 42762
• EC號碼: 226-852-5
• MDL號碼: MFCD07778082
• 分類程式碼代碼: 12352005
• PubChem物質ID: 24862550
• NACRES: NA.22

属性

• 品質等級: 100
• 化驗: 98%
• 形狀: powder
• 光學活性: [α]20/D −126°, c = 1.5 in acetic acid
• mp: 229-232 °C (lit.)
• 官能基: ester; hydroxyl
• SMILES 字串: C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C\C=C3/[C@H](O)COC3=O)C(=C)CC[C@H]12
• InChI: 1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1
• InChI 密鑰: BOJKULTULYSRAS-OTESTREVSA-N

说明

一般說明

穿心莲内酯是一种具有生物活性的二萜内酯，是传统药物穿心莲的主要成分。已知其具有不同的生物活性，如抗炎、抗疟疾、抗癌 和保肝活性。对登革病毒也表现出强效的抗病毒作用。

應用

• Andrographolide-based drug candidate against Keap1-Nrf2 pathway through rigorous cheminformatics screening.: This study identifies potential andrographolide derivatives as innovative drug candidates that target the Keap1-Nrf2 pathway, crucial for antioxidant defense mechanisms. This approach highlights the compound′s versatility in developing treatments that could mitigate oxidative stress-related diseases, making it a significant area of interest for chemists and material scientists in both academia and biotech sectors (Jain and Sudandira Doss, 2023).


• TMT-based quantitative proteomics reveals the targets of andrographolide on LPS-induced liver injury.: This investigation into the proteomic changes induced by andrographolide in liver injury models offers insights into its therapeutic mechanisms, highlighting its potential as a treatment for inflammation and liver diseases, relevant for research and development in pharmaceutical and biochemical fields (Ge et al., 2023).


• Investigation of targets and anticancer mechanisms of covalently acting natural products by functional proteomics.: This study evaluates andrographolide′s roles within the context of its anticancer properties, providing a detailed analysis of its interactions at the molecular level, essential for material scientists and chemists working on novel cancer therapies (Zhao et al., 2023).

生化／生理作用

具有抗炎特性的双萜内酯。它可阻断外源刺激下的 T 细胞增殖和补体诱导的巨噬细胞趋化迁移。可阻断几种癌细胞系的体外增殖。

安全信息

• 儲存類別代碼: 11 - Combustible Solids
• 水污染物質分類（WGK）: WGK 3
• 閃點（°F）: Not applicable
• 閃點（°C）: Not applicable
• 個人防護裝備: Eyeshields, Gloves, type N95 (US)