栝楼仁二醇 | 118117-31-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: 栝楼仁二醇
• 中文别名: 栝楼萜二醇
• 英文名称: karounidiol
• 英文别名: (3R,4aR,6aS,6bS,8aS,11R,12aR,14bS)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-ol
• CAS: 118117-31-0
• 化学式: C₃₀H₄₈O₂
• 分子量: 440.71
• InChiKey: UIXJVDGAGQPTFR-ZSBHZPGCSA-N

物化性质

• 溶解度：
  溶于氯仿、二氯甲烷、乙酸乙酯、DMSO、丙酮等。

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  32
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  栝楼仁二醇 在 氢氧化钾 、 chromium trioxide-pyridine complex 作用下， 以 吡啶 、 甲醇 为溶剂， 反应 6.0h， 生成 3α-hydroxymultiflora-7,9(11)-dien-29α-oic acid
  参考文献：
  名称：

  Akihisa, Toshihiro; Tamura, Toshitake; Matsumoro, Taro, Journal of the Chemical Society. Perkin transactions I, 1988, p. 439 - 444

  摘要：

  DOI：
• 作为产物：
  描述：

  (3α,7β)-3,7,29-trihydroxymultiflor-8-ene-3,29-diyl dibenzoate 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 栝楼仁二醇
  参考文献：
  名称：

  Trichosanthes kirilowi​​i种子中的三萜三萜酯

  摘要：

  两个新的三萜multiflorane酯，（3 α，7 β）-3,7,29-trihydroxymultiflor -8-烯3,29二基二苯甲酸酯（2）和（3 α）-3,29二羟基-7- oxomultiflor -8-烯3,29二基二苯甲酸酯（3）已经从氯仿中分离3的种子的提取物栝楼有两个公知的化合物，（3，一起α，5 α，22 ë）-24-ethylcholesta- 7,22,25（27）-三烯-3-醇和金刚烷醇。新化合物的结构进行了阐明的广泛NMR实验的基础上，并通过一个X射线晶体学分析的装置2。初步的细胞毒性试验表明2和3基本上对K562细胞系无活性。

  DOI：

  10.1002/hlca.200590202

文献信息

• Five D: C-Friedo-Oleanane Triterpenes from the Seeds of Trichosanthes kirilowii MAXIM. and Their Anti-inflammatory Effects.
  作者：Toshihiro AKIHISA、Ken YASUKAWA、Yumiko KIMURA、Michio TAKIDO、Wilhelmus C. M. C. KOKKE、Toshitake TAMURA

  DOI：10.1248/cpb.42.1101

  日期：——

  Five triterpenes with a D : C-friedo-oleanane skeleton, D : C-friedo-oleana-7, 9(11)-diene-3β, 29-diol (3-epikarounidiol), 7-oxo-D : C-friedo-olean-8-en-3β-ol (7-oxoisomultiflorenol), 7-oxo-8β-D : C-friedo-olean-9(11)-ene-3α, 29-diol, D : C-friedo-olean-8-ene-3α, 29-diol (3-epibryonolol), and D : C-friedo-olean-8-ene-3β, 29-diol (bryonolol), the first four of which are new naturally occurring compounds, were isolated from the seeds of Trichosanthes kirilowii MAXIM. The structures were determined by spectral and chemical methods. 3-Epikarounidiol, 7-oxoisomultiflorenol, and 3-epibryonolol showed marked inhibitory activity against 12-O-tetradecanoylphorbol-13-acetate (TPA)-induced ear inflammation in mice. The 50% inhibitory dose of these triterpenes for TPA-induced inflammation (1 μg) was 0.2-0.6 mg/ear.

  从Trichosanthes kirilowii MAXIM的种子中分离出五种具有D：C-friedo-oleanane骨架的三萜类化合物，即D：C-friedo-oleana-7,9(11)-diene-3β,29-diol（3-epikarounidiol）、7-oxo-D：C-friedo-olean-8-en-3β-ol（7-oxoisomultiflorenol）、7-oxo-8β-D：C-friedo-olean-9(11)-ene-3α,29-diol、D：C-friedo-olean-8-ene-3α,29-diol（3-epibryonolol）和D：C-friedo-olean-8-ene-3β,29-diol（bryonolol），其中前四种是新发现的天然化合物。通过光谱和化学方法确定了这些化合物的结构。3-Epikarounidiol、7-oxoisomultiflorenol和3-epibryonolol对小鼠12-O-tetradecanoylphorbol-13-acetate（TPA）诱导的耳部炎症具有显著的抑制活性。这些三萜类化合物对TPA诱导的炎症的5
• PROPHYLACTIC AGENT AND/OR THERAPEUTIC AGENT FOR NEURODEGENERATIVE DISEASE
  申请人：Green Tech Co., Ltd.

  公开号：EP3881898A1

  公开（公告）日：2021-09-22

  The problems to be solved by the present invention are to provide a novel agent for preventing and/or treating a neurodegenerative disease, and a pharmaceutical composition comprising the agent for preventing and/or treating a neurodegenerative disease. The problems are solved by providing an agent for preventing and/or treating a neurodegenerative disease, the agent comprising as an active ingredient an extract of Momordica charantia var. pavel, and preferably the agent is for use in treatment or prevention of a disease selected from Alzheimer's disease, Parkinson's disease, Down syndrome, tauopathy (for example, argyrophilic grain dementia, senile dementia of neurofibrillary tangle type, progressive supranuclear palsy, degeneration of cerebral cortex or Pick disease), and dementia with lewy bodies.

  本发明要解决的问题是提供一种预防和/或治疗神经退行性疾病的新型制剂，以及一种包含该制剂的预防和/或治疗神经退行性疾病的药物组合物。解决上述问题的方法是提供一种用于预防和/或治疗神经退行性疾病的制剂，该制剂的活性成分包括 Momordica charantia var.优选地，该制剂用于治疗或预防选自阿尔茨海默病、帕金森病、唐氏综合征、陶氏病（例如霰粒肿性痴呆、神经纤维缠结型老年痴呆、进行性核上性麻痹、大脑皮层变性或皮克病）和白细胞增多性痴呆的疾病。
• AGENT FOR PREVENTING AND/OR TREATING NEURODEGENERATIVE DISEASES
  申请人：GREEN TECH CO., LTD.

  公开号：US20220031787A1

  公开（公告）日：2022-02-03

  The problems to be solved by the present invention are to provide a novel agent for preventing and/or treating a neurodegenerative disease, and a pharmaceutical composition comprising the agent for preventing and/or treating a neurodegenerative disease. The problems are solved by providing an agent for preventing and/or treating a neurodegenerative disease, the agent comprising as an active ingredient an extract of Momordica charantia var. pavel, and preferably the agent is for use in treatment or prevention of a disease selected from Alzheimer's disease, Parkinson's disease, Down syndrome, tauopathy (for example, argyrophilic grain dementia, senile dementia of neurofibrillary tangle type, progressive supranuclear palsy, degeneration of cerebral cortex or Pick disease), and dementia with lewy bodies.
• Akihisa, Toshihiro; Tamura, Toshitake; Matsumoro, Taro, Journal of the Chemical Society. Perkin transactions I, 1988, p. 439 - 444
  作者：Akihisa, Toshihiro、Tamura, Toshitake、Matsumoro, Taro、Eggleston, Drake S.、Kokke, W.C.M.C.、Shimizu, Naoto

  DOI：——

  日期：——
• Multiflorane Triterpene Esters from the Seeds ofTrichosanthes kirilowii
  作者：Tao Wu、Xue-Mei Cheng、S. W. Annie Bligh、Gui-Xin Chou、Zheng-Tao Wang、Alan Bashall、Chris Branford-White

  DOI：10.1002/hlca.200590202

  日期：2005.10

  Two new multiflorane triterpene esters, (3α,7β)-3,7,29-trihydroxymultiflor-8-ene-3,29-diyl dibenzoate (2) and (3α)-3,29-dihydroxy-7-oxomultiflor-8-ene-3,29-diyl dibenzoate (3) have been isolated from the CHCl3 extract of the seeds of Trichosanthes kirilowii, together with two known compounds, (3α,5α,22E)-24-ethylcholesta-7,22,25(27)-trien-3-ol and darutigenol. The structures of the new compounds were

  两个新的三萜multiflorane酯，（3 α，7 β）-3,7,29-trihydroxymultiflor -8-烯3,29二基二苯甲酸酯（2）和（3 α）-3,29二羟基-7- oxomultiflor -8-烯3,29二基二苯甲酸酯（3）已经从氯仿中分离3的种子的提取物栝楼有两个公知的化合物，（3，一起α，5 α，22 ë）-24-ethylcholesta- 7,22,25（27）-三烯-3-醇和金刚烷醇。新化合物的结构进行了阐明的广泛NMR实验的基础上，并通过一个X射线晶体学分析的装置2。初步的细胞毒性试验表明2和3基本上对K562细胞系无活性。