kidjoranin | 38395-01-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: kidjoranin
• 英文别名: Kidjolanin；[(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3-phenylprop-2-enoate
• CAS: 38395-01-6
• 化学式: C₃₀H₃₈O₇
• 分子量: 510.628
• InChiKey: NXDYHYDLOHUSEW-IPLGTIBPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  37
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  124
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  kidjoranin 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以3.0 mg的产率得到去酰蓟萝摩苷元
  参考文献：
  名称：

  来自 Oxystelma esculentum 的孕烷酯四糖苷

  摘要：

  摘要 从 Oxystelma esculentum 的干燥根中分离出一种新的孕烷酯四糖苷，命名为 oxystine。化学和光谱证据与结构 12-O-cinnamoyl desacylmetaplexigenin-3-O-β- d -cymarophyranosyl (1 → 4)-O-β- d -thevetopyranosyl (1 → 4)-iO -β- d - 一致cymaropyranosyl (1 → 4)-O-β-d-digitoxopyranoside。

  DOI：

  10.1016/0031-9422(88)80146-8
• 作为产物：
  描述：

  oxystine 在 硫酸 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 0.5h， 以2.1 mg的产率得到D-cymarose
  参考文献：
  名称：

  来自 Oxystelma esculentum 的孕烷酯四糖苷

  摘要：

  摘要 从 Oxystelma esculentum 的干燥根中分离出一种新的孕烷酯四糖苷，命名为 oxystine。化学和光谱证据与结构 12-O-cinnamoyl desacylmetaplexigenin-3-O-β- d -cymarophyranosyl (1 → 4)-O-β- d -thevetopyranosyl (1 → 4)-iO -β- d - 一致cymaropyranosyl (1 → 4)-O-β-d-digitoxopyranoside。

  DOI：

  10.1016/0031-9422(88)80146-8

文献信息

• Design, synthesis and anticancer activity of naturally occurring C21-steroidal aglycone 3β-nitrogenous heterocyclic ester derivatives
  作者：Xiao-San Li、Rui Xing、Ming-Shang Liu、Xiao-Yan Liang、Mei-Fang Chen、Zhen-Dong Liang、Jing-Fen Nie、Hui Luo、Yong-Mei Huang、Xue-Mei Yang

  DOI：10.1016/j.molstruc.2023.135778

  日期：2023.9

  To investigate the effect of introduction of the nitrogenous heterocyclic ester group on the antitumor activities of naturally occurring C21-steroidal aglycone, a series of novel 3β-nitrogenous heterocyclic ester derivatives of caudatin, kidjoranin, qingyangshengenin, and rostratamin were synthesized. The results showed that most of synthetic derivatives showed moderate to significant cytotoxic activities

  为了研究引入含氮杂环酯基团对天然存在的C 21 -甾体糖苷配基抗肿瘤活性的影响，合成了一系列新的3 β-含氮杂环酯衍生物，包括牛尾草素、kidjoranin、青羊神根素和rostratamin。结果表明，大多数合成衍生物对四种人类癌细胞（MCF-7、HCT-116、HeLa 和 HepG2）表现出中等至显着的细胞毒活性，其中具有 piperidine-4-acetyl 取代基的化合物 1s 和 2c 表现出最高的细胞毒活性对四种人类癌细胞的细胞毒活性，IC 50值范围分别为 3.30 至 6.73 μM 和 3.07 至 6.37 μM。进一步的抗肿瘤机制研究表明，化合物2c在体外以剂量依赖的方式有效诱导细胞凋亡，使细胞周期停滞在S期。总的来说，这些目前的研究表明，将含氮杂环酯基团引入 C-3 位是提高天然存在的 C 21 -甾体糖苷配基抗癌活性的有效策略之一，值得进一步研究。
• Application of antidepressant compound in preparation of antidepressant drugs and antidepressant health-care foods
  申请人：ZHEJIANG ACADEMY OF MEDICAL SCIENCES

  公开号：US10391104B2

  公开（公告）日：2019-08-27

  The present invention discloses an application of an antidepressant compound in preparation of antidepressant drugs and antidepressant health-care foods, where the antidepressant compound has a structure represented by formula I. The antidepressant compound serves as the only active ingredient or one of active ingredients of antidepressant health-care foods. The antidepressant drug is a liquid preparation, a solid preparation, a spray, an aerosol, or the like. The antidepressant compound according to the present invention is applied in preparation of antidepressant drugs and antidepressant health-care foods, and has a chemical structure different from those of existing antidepressant drugs. The anti-depressant compound has significant antidepressant activities without obvious toxic and side effects, contributes to large-scale promotion and use on the market, and has broad application prospects.

  本发明公开了一种抗抑郁化合物在制备抗抑郁药物和抗抑郁保健食品中的应用，其中抗抑郁化合物具有式 I 所表示的结构。抗抑郁化合物是抗抑郁保健食品的唯一有效成分或有效成分之一。抗抑郁药物是液体制剂、固体制剂、喷雾剂、气雾剂等。根据本发明的抗抑郁化合物应用于制备抗抑郁药物和抗抑郁保健食品，其化学结构不同于现有的抗抑郁药物。该抗抑郁化合物具有显著的抗抑郁活性，无明显毒副作用，有利于在市场上大规模推广和使用，具有广阔的应用前景。
• Application of Antidepressant Compound in Preparation of Antidepressant Drugs and Antidepressant Health-Care Foods
  申请人：ZHEJIANG ACADEMY OF MEDICAL SCIENCES

  公开号：US20180177801A1

  公开（公告）日：2018-06-28

  The present invention discloses an application of an antidepressant compound in preparation of antidepressant drugs and antidepressant health-care foods, where the antidepressant compound has a structure represented by formula I. The antidepressant compound serves as the only active ingredient or one of active ingredients of antidepressant health-care foods. The antidepressant drug is a liquid preparation, a solid preparation, a spray, an aerosol, or the like. The antidepressant compound according to the present invention is applied in preparation of antidepressant drugs and antidepressant health-care foods, and has a chemical structure different from those of existing antidepressant drugs. The anti-depressant compound has significant antidepressant activities without obvious toxic and side effects, contributes to large-scale promotion and use on the market, and has broad application prospects.