4-[(3E,7E)-4,8-二甲基-10-[(1R,6R)-1,2,6-三甲基-4-氧代-1-环己-2-烯基]癸-3,7-二烯基]-5H-呋喃-2-酮 | 159934-16-4

• 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: 4-[(3E,7E)-4,8-二甲基-10-[(1R,6R)-1,2,6-三甲基-4-氧代-1-环己-2-烯基]癸-3,7-二烯基]-5H-呋喃-2-酮
• 英文名称: cyclolinteinone
• 英文别名: 3-[(3E,7E)-4,8-dimethyl-10-[(1R,6R)-1,2,6-trimethyl-4-oxocyclohex-2-en-1-yl]deca-3,7-dienyl]-2H-furan-5-one
• CAS: 159934-16-4
• 化学式: C₂₅H₃₆O₃
• 分子量: 384.559
• InChiKey: YFWMEDZWYWYPFS-FAKWSJOGSA-N

物化性质

• 沸点：
  541.9±49.0 °C(Predicted)
• 密度：
  0.997±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  28
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-[(3E,7E)-4,8-二甲基-10-[(1R,6R)-1,2,6-三甲基-4-氧代-1-环己-2-烯基]癸-3,7-二烯基]-5H-呋喃-2-酮 在 lithium aluminium tetrahydride 、 三氯化铝 作用下， 以 乙醚 为溶剂， 反应 2.0h， 以8 mg的产率得到3-[(3E,7E)-4,8-Dimethyl-10-((1R,6R)-1,2,6-trimethyl-cyclohex-2-enyl)-deca-3,7-dienyl]-furan
  参考文献：
  名称：

  从加勒比海海绵隔离新的生物活性二倍半萜立体结构Cacospongia比照 林形菌

  摘要：

  已从Cacospongia cf中分离出了三种新的鱼鳞毒素和拒食性酯基酯。通过化学证据和/或光谱学方法确定的形目及其立体化学。新的代谢产物与以前从同一来源分离出的化合物严格相关。

  DOI：

  10.1016/0040-4020(95)00640-t

文献信息

• Structure and absolute stereochemistry of cyclolinteinone a novel monocarbocyclic sesterterpene from Cacospongia cf. linteiformis
  作者：Maria R. Conte、Ernesto Fattorusso、Virginia Lanzotti、Silvana Magno、Luciano Mayol

  DOI：10.1016/s0040-4020(01)89353-4

  日期：1994.1

  A novel sesterterpene, cyclolinteinone (4), based on an unprecedented rearranged monocarbocyclic skeleton, has been isolated from Cacospongia cf. linteiformis. and its structure, complete with absolute stereochemistry, determined by spectral studies and chemical correlations. A plausible pathway for the biogenesis of this compound starting from geranylfarnesol is proposed. Cyclolinteinone has been

  一种新的酯基萜烯，环亚麻酮（4）基于前所未有的重排单碳环骨架，已从Cacospongia cf中分离出来。linteiformis。其结构由绝对立体化学完成，由光谱研究和化学相关性确定。提出了从香叶基法尼醇开始该化合物生物合成的可能途径。已证明环环丁酮具有很高的鱼鳞毒性和拒食性。
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  公开号：EP2363122A1

  公开（公告）日：2011-09-07

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  本发明涉及有助于局部治疗疼痛的系统和方法。更具体地说，本发明涉及将一种或多种 NFKB 抑制化合物，特别是氯硝柳胺，用于制造治疗疼痛的药物，其中所述药物用于对有需要的患者进行局部给药。
• Cancer chemotherapeutical and chemopreventive agent
  申请人：National University of Singapore

  公开号：US20020058077A1

  公开（公告）日：2002-05-16

  This invention relates to the use of parthenolide or derivative thereof and chrysanthemum ethanolic extract containing parthenolide in the treatment and prevention of cancer, including cancer associated with an increased COX-2 expression and increased constitutive activation of NF-&kgr;B.

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• Methods and reagents for the treatment of immunoinflammatory disorders
  申请人：Manivasakam Palaniyandi

  公开号：US20050271661A1

  公开（公告）日：2005-12-08

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  申请人：Benz C. Christopher

  公开号：US20060024691A1

  公开（公告）日：2006-02-02

  This invention pertains to the identification of two novel epithelial signaling pathways in ER-positive breast cancer s and the discovery that the cellular biology and (likely also the clinical outcome) of ER-positive breast cancer cells is unexpectedly altered when these signaling pathways are activated. The first pathway pertains to the discovery that NF-κB activation and/or DNA binding is implicated in the etiology of ER-positive breast (and other) cancers. The second pathway involves ligand-independent quinine-mediated ER activation by posphorylation (e.g. on SER-118 and SER-167 residues of ER) and nuclear translocation of full-length (67 kDA) ER as well as the phorphorylating activation of a truncated and nuclear-localized ER variant (˜52 kDa).

  本发明涉及在ER阳性乳腺癌中发现两种新型上皮信号通路，并发现当这些信号通路被激活时，ER阳性乳腺癌细胞的细胞生物学特性和（可能还有临床结果）会发生意想不到的改变。第一条途径是发现 NF-κB 激活和/或 DNA 结合与 ER 阳性乳腺癌（和其他癌症）的病因有关。第二种途径涉及与配体无关的奎宁介导的ER激活，即ER的正理论化（如ER的SER-118和SER-167残基）和全长（67 kDA）ER的核转位，以及截短的核定位ER变体（˜52 kDa）的正理论化激活。