2,6-dimethyl-2,6-octadiene-1,8-diol | 26489-17-8

• 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
• 英文名称: 2,6-dimethyl-2,6-octadiene-1,8-diol
• 英文别名: 10-Hydroxygeraniol；2,6-Dimethylocta-2,6-diene-1,8-diol
• CAS: 26489-17-8
• 化学式: C₁₀H₁₈O₂
• mdl: MFCD00075127
• 分子量: 170.252
• InChiKey: PREUOUJFXMCMSJ-UHFFFAOYSA-N

物化性质

• 沸点：
  288.8±28.0 °C(Predicted)
• 密度：
  0.970±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 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：

  2,6-dimethyl-2,6-octadiene-1,8-diol 、 (S,E)-5-((2-(3-carboxyprop-1-en-1-yl)-6-hydroxy-4-methoxybenzoyl)oxy)hexanoic acid 在 Chirazyme-L₉ 、 sodium sulfate 作用下， 以 甲基叔丁基醚 为溶剂， 反应 120.0h， 以48%的产率得到
  参考文献：
  名称：

  Application of combinatorial biocatalysis for a unique ring expansion of dihydroxymethylzearalenone

  摘要：

  Combinatorial biocatalysis was applied to generate a diverse set of dihydroxymethylzearalenone analogs with modified ring structure. In one representative chemoenzymatic reaction sequence, dihydroxymethylzearalenone was first subjected to a unique enzyme-catalyzed oxidative ring opening reaction that creates two new carboxylic groups on the molecule. These groups served as reaction sites for further derivatization involving biocatalytic ring closure reactions with structurally diverse bifunctional reagents, including different diols and diamines. As a result, a library of cyclic bislactones and bislactams was created, with modified ring structures covering chemical space and structure activity relationships unattainable by conventional synthetic means. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2009.04.005

文献信息

• Novel antibacterial agents
  申请人：Christensen G. Burton

  公开号：US20070134729A1

  公开（公告）日：2007-06-14

  This invention relates to novel multibinding compounds (agents) that are antibacterial agents. The multibinding compounds of the invention comprise from 2-10 ligands covalently connected by a linker or linkers, wherein each of said ligands in their monovalent (i.e., unlinked) state have the ability to bind to a an enzyme involved in cell wall biosynthesis and metabolism, a precursor used in the synthesis of the bacterial cell wall and/or the bacterial cell surface thereby interfere with the synthesis and/or metabolism of the cell wall. In particular the multibinding compounds of the invention comprise from 2-10 ligands covalently connected by a linker or linkers, wherein each of said ligands has a ligand domain capable of binding to penicillin binding proteins, a transpeptidase enzyme, a substrate of a transpeptidase enzyme, a beta-lactamase enzyme, pencillinase enzyme, cephalosporinase enzyme, a transglycoslase enzyme, or a transglycosylase enzyme substrate; Preferably, the ligands are selected from the beta lactam or glycopeptide class of antibacterial agents.

  本发明涉及一种新型多结合化合物（药剂），其为抗菌剂。该发明的多结合化合物由2-10个配体通过连接剂或连接剂共价连接而成，其中每个单价（即未连接的）配体具有与细胞壁生物合成和代谢中的酶、合成细菌细胞壁和/或细菌细胞表面的前体有结合能力，从而干扰细胞壁的合成和/或代谢。特别地，本发明的多结合化合物由2-10个配体通过连接剂或连接剂共价连接而成，其中每个配体具有能够结合青霉素结合蛋白、横向肽酶酶、横向肽酶酶底物、β-内酰胺酶、青霉素酶、头孢菌素酶、横向转移酶酶或横向转移酶酶底物的配体结构域。优选地，配体选自β-内酰胺类或糖肽类抗菌剂。
• SYNTHETIC TRANSTAGANOLIDE AND BASILIOLIDE PRODUCTS, DERIVATIVES THEREOF, AND SYNTHESIS METHODS THEREOF
  申请人：Nelson Hosea

  公开号：US20120184754A1

  公开（公告）日：2012-07-19

  Compounds represented by Formula I are provided that include synthetic transtaganolide and basiliolide products. Derivatives of these compounds and methods of synthesis are also provided.

  提供了由I式表示的化合物，其中包括合成的转油酸内酯和巴西里内酯产物。还提供了这些化合物的衍生物和合成方法。
• Beta2-Adrenergic Receptor Agonists
  申请人：Moran Edmund J.

  公开号：US20080269344A1

  公开（公告）日：2008-10-30

  Disclosed are multibinding compounds which are β2 adrenergic receptor agonists and are useful in the treatment and prevention of respiratory diseases such as asthma, bronchitis. They are also useful in the treatment of nervous system injury and premature labor.

  本发明涉及多结合化合物，其是β2肾上腺素能受体激动剂，可用于治疗和预防哮喘、支气管炎等呼吸系统疾病。它们还可用于治疗神经系统损伤和早产。
• Beta2-adrenergic receptor agonists
  申请人：Moran J. Edmund

  公开号：US20070179179A1

  公开（公告）日：2007-08-02

  Disclosed are multibinding compounds which are β2 adrenergic receptor agonists and are useful in the treatment and prevention of respiratory diseases such as asthma, bronchitis. They are also useful in the treatment of nervous system injury and premature labor.

  本发明涉及多重结合化合物，其为β2肾上腺素能受体激动剂，可用于治疗和预防哮喘、支气管炎等呼吸系统疾病。它们还可用于治疗神经系统损伤和早产。
• Muscarinic receptor antagonists
  申请人：Aggen James

  公开号：US20090306134A1

  公开（公告）日：2009-12-10

  Disclosed are multibinding compounds which are muscarinic receptor antagonists. The multibinding compounds of this invention containing from 2 to 10 ligands covalently attached to one or more linkers. Each ligand is, independently of each other, a muscarinic receptor antagonist or an allosteric modulator provided that at least one of said ligand is a muscarinic receptor antagonist. The multibinding compounds of this invention are useful in the treatment and prevention of diseases such as chronic obstructive pulmonary disease, chronic bronchitis, irritable bowel syndrome, urinary incontinence, and the like.

  本发明涉及一种多结合化合物，其为肌动蛋白受体拮抗剂。该发明的多结合化合物包含2至10个配体共价连接到一个或多个连接体上。每个配体是独立的，可以是肌动蛋白受体拮抗剂或变构调节剂，但至少其中一个配体是肌动蛋白受体拮抗剂。本发明的多结合化合物在治疗和预防慢性阻塞性肺疾病、慢性支气管炎、肠易激综合征、尿失禁等疾病方面具有用途。