(5-hydroxymethyl-[1,3]dithian-5-yl)-methanol | 361559-72-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二噻烷
• 英文名称: (5-hydroxymethyl-[1,3]dithian-5-yl)-methanol
• 英文别名: 5,5-Bis(hydroxymethyl)[1,3]dithiane；5,5-di(hydroxymethyl)-1,3-dithiane；5,5-bis(hydroxymethyl)-[1,3]dithiane；[5-(Hydroxymethyl)-1,3-dithian-5-yl]methanol
• CAS: 361559-72-0
• 化学式: C₆H₁₂O₂S₂
• 分子量: 180.292
• InChiKey: UEFOKKJILQPGLE-UHFFFAOYSA-N

物化性质

• 沸点：
  350.1±22.0 °C(predicted)
• 密度：
  1.278±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  91.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (5-hydroxymethyl-[1,3]dithian-5-yl)-methanol 在 正丁基锂 、 sodium hydride 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 C-(5,5-bis-dodecyloxymethyl-[1,3]dithian-2-yl)-C-[4-(tetrahydro-pyran-2-yloxy)-phenyl]-methylamine
  参考文献：
  名称：

  Liposomes from Novel Photolabile Phospholipids:  Light-Induced Unloading of Small Molecules As Monitored by PFG NMR

  摘要：

  A molecular dithiane-based approach to synthesis of novel photolabile phospholipids is developed. These lipids are used in formulations with egg-POPC and cholesterol to prepare light-sensitive liposomes. Irradiation of such liposomes in PBS buffer (medium pressure mercury lamp, Pyrex filter, lambda > 300 nm) significantly increases the bilayer permeability and accelerates the release of entrapped small organic molecules by an order of magnitude. A simple assay, based on (1)H or (19)F PFG NMR measurements of diffusion coefficients, is developed to monitor light-induced unloading of the probe molecules.

  DOI：

  10.1021/ja016874i
• 作为产物：
  描述：

  二溴新戊二醇 在 盐酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 生成 (5-hydroxymethyl-[1,3]dithian-5-yl)-methanol
  参考文献：
  名称：

  基于二噻烷的光不稳定分子系统的合成

  摘要：

  Synthesis 2001, No. 8, 18 06 2001. 文章标识符：1437-210X,E;2001,0,08,1133,1142,ftx,en;C00801SS.pdf。© Georg Thieme Verlag Stuttgart · 纽约 ISSN 0039-7881 摘要：描述了基于二硫代锂加成羰基化合物的光不稳定分子系统的合成。螺结构的二噻烷，例如 2,4,8,10-四噻螺[5.5]十一烷和 2,4-二噻-8,10-二氧杂螺[5.5]十一烷被用作系链，因此允许采用模块化方法来构建一组不同的光裂解分子。发现从简单取代的苯甲醛到甲酰化苯并冠醚、碳水化合物或杯芳烃的各种羰基化合物都适用于这种化学。

  DOI：

  10.1055/s-2001-15057

文献信息

• Synthesis of Dithiane-Based Photolabile Molecular Systems
  作者：Andrei Kutateladze、Oleg Mitkin、Yongqin Wan、Alexei Kurchan

  DOI：10.1055/s-2001-15057

  日期：——

  Synthesis 2001, No. 8, 18 06 2001. Article Identifier: 1437-210X,E;2001,0,08,1133,1142,ftx,en;C00801SS.pdf. © Georg Thieme Verlag Stuttgart · New York ISSN 0039-7881 Abstract: Synthesis of photolabile molecular systems based on lithiodithiane addition to carbonyl compounds is described. Dithianes of the spiro structure, e.g., 2,4,8,10-tetrathiaspiro[5.5]undecane and 2,4-dithia-8,10-dioxaspiro[5.5]undecane

  Synthesis 2001, No. 8, 18 06 2001. 文章标识符：1437-210X,E;2001,0,08,1133,1142,ftx,en;C00801SS.pdf。© Georg Thieme Verlag Stuttgart · 纽约 ISSN 0039-7881 摘要：描述了基于二硫代锂加成羰基化合物的光不稳定分子系统的合成。螺结构的二噻烷，例如 2,4,8,10-四噻螺[5.5]十一烷和 2,4-二噻-8,10-二氧杂螺[5.5]十一烷被用作系链，因此允许采用模块化方法来构建一组不同的光裂解分子。发现从简单取代的苯甲醛到甲酰化苯并冠醚、碳水化合物或杯芳烃的各种羰基化合物都适用于这种化学。
• SUBSTITUTED CYCLOALKENE DERIVATIVE
  申请人：Kimura Tomio

  公开号：US20090233952A1

  公开（公告）日：2009-09-17

  [Object] To provide a substituted cycloalkene derivative having an action to suppress intracellular signal transduction or cell activation induced by endotoxin and to suppress cell responses due to the intracellular signal transduction and cell activation such as an excess generation of inflammatory mediators such as TNF-α, pharmacologically acceptable salts therefor, a medicament containing them as an active ingredient, a preparation method therefor, and a medicament containing the aforementioned substituted cycloalkene derivative as an active ingredient which is superior in prophylaxis and/or treatment of diseases such as sepsis (septic shock, disseminated intravascular coagulation, multiple organ failure and the like), that are associated with intracellular signal transduction or cell activation induced by endotoxin and to cell responses to the intracellular signal transduction and cell activation. [Solution] A compound represented by the general formula (I): wherein X and Y represent a group in which X and Y together with a carbon atom to which they are bound form ring A (the ring is 3- to 7-membered heterocyclyl ring or 3- to 7-membered cycloalkyl ring), each represents a hydrogen atom, or X and Y together represent a substituent of ring B. l and m, independently from each other, represent an integer of 0 to 3, and l+m is 1 to 3. R 1 is an aliphatic hydrocarbon group and the like which may be substituted with a group selected from Substituent group β and Substituent group γ. n represents an integer of 0 to 3. R 2 is a C 1 -C 6 alkyl group and the like which may be substituted with a group selected from a hydrogen atom and Substituent group β. R 3 is a phenyl group, 5- to 6-membered heteroaryl group and the like which may be substituted with a group selected from Substituent group ε. R 5 is a C 1 -C 6 alkyl group and the like which may be substituted with a group selected from a hydrogen atom and Substituent group β. Provided that in the case where R 3 is a phenyl group which may be substituted with a group selected from Substituent group ε, X and Y represent a group in which X and Y together with a carbon atom to which they are bound form ring A, or X and Y together represent a substituent of ring B.

  [目的] 提供一种替代环烯烃衍生物，具有抑制内毒素诱导的细胞内信号传导或细胞活化并抑制细胞对细胞内信号传导和细胞活化的反应，例如过量生成TNF-α等炎症介质，其药理学上可接受的盐，包含其作为活性成分的药物，其制备方法以及含有上述替代环烯烃衍生物作为活性成分的药物，其在预防和/或治疗与内毒素诱导的细胞内信号传导或细胞活化以及对细胞内信号传导和细胞活化的反应有关的疾病，例如败血症（败血性休克，弥漫性血管内凝血，多器官衰竭等）方面具有优越性。 [解决方案] 一种由通式（I）表示的化合物：其中，X和Y表示与它们结合的碳原子形成环A（环为3-至7成员的杂环或3-至7成员的环烷基环）的基团，每个表示氢原子，或X和Y一起表示环B的取代基。l和m，独立地，表示0至3的整数，且l+m为1至3。R1是脂肪烃基等，可以被从取代基组β和取代基组γ中选择的基团取代。n表示0至3的整数。R2是C1-C6烷基等，可以被从氢原子和取代基组β中选择的基团取代。R3是苯基，5-至6成员的杂环基等，可以被从取代基组ε中选择的基团取代。R5是C1-C6烷基等，可以被从氢原子和取代基组β中选择的基团取代。但在R3是苯基且可以被从取代基组ε中选择的基团取代的情况下，X和Y表示与它们结合的碳原子形成环A的基团，或X和Y一起表示环B的取代基。
• NOVEL PHOSPHODIESTERASE INHIBITORS
  申请人：Felding Jakob

  公开号：US20100099688A1

  公开（公告）日：2010-04-22

  The present invention relates to a compound according to formula I, wherein X, A, G, E, R 1 , R 2 , R 3 are as shown herein; and pharmaceutically acceptable salts, hydrates, N-oxides or solvates hereof. The invention further relates to said compounds for use in therapy, to pharmaceutical compositions comprising said compounds, to methods of treating diseases, e.g. dermal diseases, with said compounds, and to the use of said compounds in the manufacture of medicaments.

  本发明涉及公式I所示的化合物，其中X，A，G，E，R1，R2，R3如下所示；以及其药学上可接受的盐，水合物，N-氧化物或溶剂化物。本发明还涉及上述化合物在治疗中的使用，包括含有该化合物的药物组合物，用于治疗疾病（例如皮肤疾病）的方法，以及该化合物在制药中的使用。
• WO2008/104175
  申请人：——

  公开号：——

  公开（公告）日：——
• US7935835B2
  申请人：——

  公开号：US7935835B2

  公开（公告）日：2011-05-03