6-ethoxy-4,4-dimethyl-6-oxohexanoic acid | 93218-34-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 6-ethoxy-4,4-dimethyl-6-oxohexanoic acid
• 英文别名: 6-Ethoxy-4,4-dimethyl-6-oxohexanoic acid
• CAS: 93218-34-9
• 化学式: C₁₀H₁₈O₄
• 分子量: 202.251
• InChiKey: QYZRSACZCNVNMC-UHFFFAOYSA-N

物化性质

• 沸点：
  303.4±15.0 °C(Predicted)
• 密度：
  1.054±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-ethoxy-3,3-dimethyl-5-oxopentanoic acid 在 氯化亚砜 、 5%-palladium/activated carbon 、 氢气 、 silver(I) acetate 、 三乙胺 、 N,N-二甲基甲酰胺 作用下， 以 四氢呋喃 、 乙醇 、 正己烷 、 乙酸乙酯 、 乙腈 为溶剂， 反应 13.25h， 生成 6-ethoxy-4,4-dimethyl-6-oxohexanoic acid
  参考文献：
  名称：

  ONO-8430506: A Novel Autotaxin Inhibitor That Enhances the Antitumor Effect of Paclitaxel in a Breast Cancer Model

  摘要：

  Lysophosphatidic acid (LPA) is a bioactive lipid mediator that elicits a number of biological functions, including smooth muscle contraction, cell motility, proliferation, and morphological change. LPA is endogenously produced by autotaxin (ATX) from extracellular lysophosphatidylcholine (LPC) in plasma. Herein, we report our medicinal chemistry effort to identify a novel and highly potent ATX inhibitor, ONO-8430506 (20), with good oral availability. To enhance the enzymatic ATX inhibitory activity, we designed several compounds by structurally comparing our hit compound with the endogenous ligand LPC. Further optimization to improve the pharmacokinetic profile and enhance the ATX inhibitory activity in human plasma resulted in the identification of ONO-8430506 (20), which enhanced the antitumor effect of paclitaxel in a breast cancer model.

  DOI：

  10.1021/acsmedchemlett.0c00200

文献信息

• [EN] HCV INHIBITING BI-CYCLIC PYRIMIDINES<br/>[FR] PYRIMIDINES BICYCLIQUES INHIBANT LE VHC
  申请人：TIBOTEC PHARM LTD

  公开号：WO2006035061A1

  公开（公告）日：2006-04-06

  The present invention relates to the use of bi-cyclic pyrimidines as inhibitors of HCV replication as well as their use in pharmaceutical compositions aimed to treat or combat HCV infections. In addition, the present invention relates to processes for preparation of such pharmaceutical compositions. The present invention also concerns combinat ions of the present bi-cyclic pyrimidines with other anti-HCV agents.

  本发明涉及双环嘧啶类化合物作为HCV复制抑制剂的用途，以及它们在旨在治疗或对抗HCV感染的药物组合物中的应用。此外，本发明涉及制备此类药物组合物的方法。本发明还涉及将本双环嘧啶类化合物与其他抗HCV药物的组合。
• TETRAHYDROCARBOLINE DERIVATIVE
  申请人：Ohata Akira

  公开号：US20130109699A1

  公开（公告）日：2013-05-02

  An object of the present invention is to provide a drug having the inhibitory activity on ENPP2 which is a different target from that of the existing drug, as a medicament useful in a urinary excretion disorder patient for whom the existing drug has the insufficient effect. The present invention provides a compound represented by the general formula (I): (wherein definition of each group is as defined in the description) having the ENPP2 inhibitory activity, a salt thereof or a solvate thereof or a prodrug thereof, and an agent for preventing or treating urinary excretion disorder and/or improving symptoms thereof, containing them as an active ingredient.

  本发明的目的是提供一种药物，具有对ENPP2具有抑制活性，该活性与现有药物的靶点不同，作为一种对现有药物效果不足的尿液排泄障碍患者有用的药物。本发明提供了一种由通式（I）表示的化合物：（其中每个基团的定义如描述中所定义）具有ENPP2抑制活性，其盐或溶剂或前药，以及作为活性成分的含有它们的用于预防或治疗尿液排泄障碍和/或改善症状的药剂。
• Bi-cyclic pyrimidine inhibitors of TGFbeta
  申请人：Dugar Sundeep

  公开号：US20050004143A1

  公开（公告）日：2005-01-06

  Compounds in which a pyrimidine nucleus is bridged at the 5 and 6 position and are further substituted at positions 2 and 4 with substituents comprising aromatic moieties are useful in treating subjects with conditions ameliorated by inhibition of TGFβ activity.

  在5和6位置桥接了嘧啶核的化合物，并且在2和4位置进一步取代了含芳香基团的取代基，可用于治疗需要抑制TGFβ活性改善病症的患者。
• HCV INHIBITING BI-CYCLIC PYRIMIDINES
  申请人：SIMMEN Alan Kenneth

  公开号：US20070155716A1

  公开（公告）日：2007-07-05

  The present invention relates to the use of bi-cyclic pyrimidines as inhibitors of HCV replication as well as their use in pharmaceutical compositions aimed to treat or combat HCV infections. In addition, the present invention relates to processes for preparation of such pharmaceutical compositions. The present invention also concerns combinations of the present bi-cyclic pyrimidines with other anti-HCV agents.

  本发明涉及双环嘧啶作为HCV复制抑制剂的使用，以及它们在治疗或对抗HCV感染的药物组合物中的使用。此外，本发明涉及制备这种药物组合物的过程。本发明还涉及将本双环嘧啶与其他抗HCV药剂组合使用的方法。
• PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE
  申请人：Taisho Pharmaceutical Co., Ltd.

  公开号：EP3666766A1

  公开（公告）日：2020-06-17

  The present invention provides a compound represented by formula [I] shown below or a pharmaceutically acceptable salt thereof that has an inhibitory effect on 20-HETE producing enzyme. (in formula [I] above, the structure represented by formula [II] below: represents any of the structures represented by formula group [III] below: R1, R2, R3, and R4 independently represent a hydrogen atom, a fluorine atom, methyl, or the like, R5 represents any of the structures represented by formula group [IV]:

  本发明提供了一种由下式[I]代表的化合物或其药学上可接受的盐，对 20-HETE 生成酶具有抑制作用。 (上式[I]中，下式[II]所代表的结构： 代表下式组[III]所代表的任何一种结构： R1、R2、R3 和 R4 独立地代表氢原子、氟原子、甲基或类似物、 R5 代表式组 [IV] 所代表的任何一种结构：