茵陈蒿素 | 3570-28-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异香豆素及其衍生物
• 中文名称: 茵陈蒿素
• 中文别名: 茵陈素
• 英文名称: capillarin
• 英文别名: 3-but-2-ynylisochromen-1-one
• CAS: 3570-28-3
• 化学式: C₁₃H₁₀O₂
• 分子量: 198.221
• InChiKey: KUJLPCYCQICVRM-UHFFFAOYSA-N

物化性质

• 熔点：
  124 °C
• 沸点：
  336.3±42.0 °C(Predicted)
• 密度：
  1.173±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2932999099

文献信息

• [EN] COUMARIN DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE THEREOF<br/>[FR] DÉRIVÉ DE COUMARINE, COMPOSITION PHARMACEUTIQUE ET UTILISATION ASSOCIÉES
  申请人：BEIJING HANMI PHARMACEUTICAL CO LTD

  公开号：WO2012171488A1

  公开（公告）日：2012-12-20

  The present invention relates to a coumarin derivative of formula (I): wherein X, Y1, Y2, Y3, R1, R2, R3 and R4 are as defined herein, or a pharmaceutically acceptable salt or solvate thereof. The present invention also relates to a pharmaceutical composition comprising the compound of the present invention, and use of the compound of the present invention in treating tumor and/or inflammation.

  本发明涉及一种具有如下式（I）的香豆素衍生物：其中X、Y1、Y2、Y3、R1、R2、R3和R4如本文所定义，或其药学上可接受的盐或溶剂。本发明还涉及包括本发明化合物的药物组合物，以及在治疗肿瘤和/或炎症中使用本发明化合物。
• Dermal cytochrome P450 1A inhibitors and enhancers
  申请人：——

  公开号：US20030166583A1

  公开（公告）日：2003-09-04

  The present invention provides dermal cytochrome P450 1A (CYP1A) inhibitors, which include free base or pharmacologically acceptable salt of (−)-epicatechin, (+)-epicatechin, (+)-limonene, 3-phenylpropyl acetate, &agr;-naphthoflavone, apigenin, baicalein, baicalin, &bgr;-myrcene, catechin, &bgr;-naphthoflavone, cineole, daidzein, daidzin, diosmin, ergosterol, formononetin, gallic acid, genistein, glycyrrhizin, glycyrrhizic acid, hesperetin, hesperidin, isoquercitrin, kaempferol, lauryl alcohol, luteolin, luteolin-7-glycoside, narigenin, narigin, nordihydroguaiaretic acid, oleanolic acid, paeoniflorin, quercetin, quercitrin, rutin, swertiamarin, terpineol, trans-cinnamaldehyde, trans-cinnamic acid, umbelliferone, genkwanin, homoorientin, isovitexin, neohesperidin, wongonin, capillarisin, liquiritin, ethyl myristate, poncirin, and ursolic acid. The CYP1A inhibitors can be co-administered with compounds with first-pass effect such as dermatological drugs to improve the bioavailability of the drugs. The present invention also provides dermal CYP 1 A enhancers, which include (+)-catechin, (−)-epicatechin, (+)-epicatechin, (+)-limonene, 3-phenylpropyl acetate, apigenin, baicalein, baicalin, &bgr;-myrcene, cineole, daidzein, daidzin, diosmin, ergosterol, formononetin, gallic acid, glycyrrhizin, hesperidin, isoquercitrin, kaempferol, lauryl alcohol, luteolin, luteolin-7-glycoside, narigin, nordihydroguaiaretic acid, paeoniflorin, protocatechuic acid, quercetin, quercitrin, rutin, swertiamarin, terpineol, trans-cinnamic acid, umbelliferone, and umbellic acid.

  本发明提供了皮肤细胞色素 P450 1A（CYP1A）抑制剂，其中包括(-)-表儿茶素、(+)-表儿茶素、(+)-柠檬烯、3-苯基丙基乙酸酯、&agr;-萘黄酮、芹菜素、黄芩苷、黄芩素、&bgr;-月桂烯、儿茶素、&bgr；-萘烷黄酮、茄红素、麦角苷、麦角苷、麦角甾醇、麦角素、没食子酸、染料木素、甘草甜素、甘草酸、橙皮素、橙皮甙、异槲皮素、山柰酚、月桂醇、木犀草素、木犀草素-7-糖苷、芹菜素、芹菜甙、去甲二氢愈创木脂酸、齐墩果酸、芍药苷、槲皮素、槲皮苷、芦丁、獐牙菜苷、松油醇、反式肉桂醛、反式肉桂酸、伞形酮、玄参苷、同荭草苷、异荭草苷、新橙皮苷、翁苷、毛果芸香苷、枸杞子苷、肉豆蔻酸乙酯、枸橘苷和熊果酸。CYP1A 抑制剂可与皮肤病药物等具有首过效应的化合物联合使用，以提高药物的生物利用度。本发明还提供了皮肤 CYP 1 A增强剂，其中包括(+)-儿茶素、(-)-表儿茶素、(+)-表儿茶素、(+)-柠檬烯、3-苯基丙基乙酸酯、芹菜甙、黄芩甙、黄芩素、&bgr；黄芩苷、黄芩苷、&bgr; -myrcene、黄芩苷、&bgr; -cineole、麦角苷、麦角苷、麦角新苷、麦角酮苷、没食子酸、甘草苷、橙皮甙、异槲皮苷、山柰酚、月桂醇、木犀草素、木犀草素-7-糖苷、芍药苷、原儿茶酸、槲皮素、槲皮素、芦丁、獐牙菜素、松油醇、反式肉桂酸、伞形酮和伞形酸。
• Method of extracting and method of purifying an effective substance
  申请人：——

  公开号：US20040266999A1

  公开（公告）日：2004-12-30

  A method for extracting a hydrophobic group-containing water-soluble organic compound, comprising the step of bringing an aqueous solution containing the hydrophobic group-containing water-soluble organic compound and a saccharide into contact with a polar organic solvent to obtain an aqueous phase and an organic phase, whereby the hydrophobic group-containing water-soluble organic compound is transferred to the organic phase. The saccharide concentration of the aqueous solution may be at least 12 g per 100 ml of the aqueous solution. The aqueous solution may further contain a phase separation assisting agent. The phase separation assisting agent may be selected from the group consisting of sodium chloride, sodium citrate, magnesium sulfate, and ammonium sulfate.

  一种提取含疏水基团的水溶性有机化合物的方法，包括以下步骤：将含有含疏水基团的水溶性有机化合物和糖类的水溶液与极性有机溶剂接触，得到水相和有机相，从而将含疏水基团的水溶性有机化合物转移到有机相中。水溶液中的糖类浓度可以至少为每 100 毫升水溶液 12 克。水溶液可进一步含有相分离辅助剂。相分离辅助剂可选自氯化钠、柠檬酸钠、硫酸镁和硫酸铵组成的组。
• ANTIOBESITY COMPOSITION
  申请人：ANGIOLAB., INC.

  公开号：EP1951275A1

  公开（公告）日：2008-08-06
• A COMPOSITION COMPRISING THE EXTRACT OF COMBINED HERBS FOR PREVENTING AND TREATING LIVER DISEASE
  申请人：Lee, Jung Sik

  公开号：EP2091545B1

  公开（公告）日：2012-10-17

表征谱图