(2-(4-methoxyphenyl)-1,3-dioxan-5-yl)methanol | 465540-17-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (2-(4-methoxyphenyl)-1,3-dioxan-5-yl)methanol
• 英文别名: [2-(4-Methoxyphenyl)-1,3-dioxan-5-yl]methanol；[2-(4-methoxyphenyl)-1,3-dioxan-5-yl]methanol
• CAS: 465540-17-4
• 化学式: C₁₂H₁₆O₄
• 分子量: 224.257
• InChiKey: HSMFURVQTBDOLO-UHFFFAOYSA-N

物化性质

• 沸点：
  369.9±37.0 °C(Predicted)
• 密度：
  1.148±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  47.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2-(4-methoxyphenyl)-1,3-dioxan-5-yl)methanol 在 水 、 Selectfluor 作用下， 以 乙腈 为溶剂， 反应 5.0h， 以90%的产率得到2-羟甲基-1,3-丙二醇
  参考文献：
  名称：

  通过Selectfluor™裂解对甲氧基亚苄基（PMP），四氢吡喃基（THP）和1,3-二硫杂环丁烷保护基的有效方法

  摘要：

  已开发出一种新的有效方法，用于用Selectfluor™裂解PMP，THP和1,3-二硫杂环丁烷保护基。

  DOI：

  10.1016/s0040-4039(02)00740-2
• 作为产物：
  描述：

  2-(4-methoxyphenyl)-5-methylene-[1,3]dioxane 在 9-硼双环[3.3.1]壬烷 、 sodium hydroxide 、 双氧水 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以78%的产率得到(2-(4-methoxyphenyl)-1,3-dioxan-5-yl)methanol
  参考文献：
  名称：

  Synthesis of arylidene-substituted gelastatin analogues and their screening for MMP-2 inhibitory activity

  摘要：

  A series of arylidene-substituted gelastatin analogues were synthesized in a divergent manner. Each analogue was obtained as a mixture of isomers. Calculation methods were devised to deduce the MMP-2 inhibitory activity of each isomer from the activity of an isomeric mixture and its composition. This protocol is suitable for rapidly generating a variety of arylidene-substituted gelastatin analogues and screening them for highly active inhibitors. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.03.037

文献信息

• Stereoselective synthesis of (−)-blepharocalyxin D
  作者：Haye Min Ko、Dong Gil Lee、Min Ah Kim、Hak Joong Kim、Jaejoon Park、Myoung Soo Lah、Eun Lee

  DOI：10.1016/j.tet.2007.02.028

  日期：2007.6

  The Prins cyclization strategy was successfully applied in the stereoselective synthesis of (−)-blepharocalyxin D (1), a cytotoxic dimeric diarylheptanoid isolated from Alpinia blepharocalyx.

  Prins环化策略已成功应用于立体选择性合成的（-）-blepharocalyxin D（1），一种分离自Alpinia blepharocalyx的细胞毒性二聚体二芳基庚烷。
• [EN] COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY<br/>[FR] COMPOSÉS ET COMPOSITIONS POUR TRAITER DES ÉTATS PATHOLOGIQUES ASSOCIÉS À L'ACTIVITÉ DE STING
  申请人：IFM DUE INC

  公开号：WO2023018781A1

  公开（公告）日：2023-02-16

  This disclosure features chemical entities (e.g., a compound or a pharmaceutically acceptable salt, and/or hydrate, and/or cocrystal, and/or drug combination of the compound) that inhibit (e.g., antagonize) Stimulator of Interferon Genes (STING). Said chemical entities are useful, e.g., for treating a condition, disease or disorder in which increased (e.g., excessive) STING activation (e.g., STING signaling) contributes to the pathology and/or symptoms and/or progression of the condition, disease or disorder (e.g., cancer) in a subject (e.g., a human). This disclosure also features compositions containing the same as well as methods of using and making the same.

  本公开涉及化学实体（例如，化合物或药学上可接受的盐，水合物，共晶体或化合物的药物组合物），其抑制（例如，拮抗）干扰素基因刺激剂（STING）。所述化学实体是有用的，例如用于治疗在其中增加（例如，过度）STING激活（例如，STING信号传导）对主体（例如，人类）的病理学和/或症状和/或疾病或疾病的进展有贡献的情况，疾病或疾病（例如，癌症）。本公开还涉及包含相同的组合物以及使用和制备相同的方法。
• Total Synthesis of (−)-Blepharocalyxin D
  作者：Haye Min Ko、Dong Gil Lee、Min Ah Kim、Hak Joong Kim、Jaejoon Park、Myoung Soo Lah、Eun Lee

  DOI：10.1021/ol0627956

  日期：2007.1.1

  The Prins cyclization strategy was successfully applied in the total synthesis of (-)-blepharocalyxin D, a cytotoxic dimeric diarylheptanoid isolated from Alpinia blepharocalyx.
• An efficient method for the cleavage of p-methoxybenzylidene (PMP), tetrahydropyranyl (THP) and 1,3-dithiane protecting groups by Selectfluor™
  作者：Junjie Liu、Chi-Huey Wong

  DOI：10.1016/s0040-4039(02)00740-2

  日期：2002.5

  A new and efficient method for the cleavage of the PMP, THP and 1,3-dithiane protecting groups with Selectfluor™ has been developed.

  已开发出一种新的有效方法，用于用Selectfluor™裂解PMP，THP和1,3-二硫杂环丁烷保护基。
• Synthesis of arylidene-substituted gelastatin analogues and their screening for MMP-2 inhibitory activity
  作者：Eun Jin Kim、Soo Y. Ko

  DOI：10.1016/j.bmc.2005.03.037

  日期：2005.6

  A series of arylidene-substituted gelastatin analogues were synthesized in a divergent manner. Each analogue was obtained as a mixture of isomers. Calculation methods were devised to deduce the MMP-2 inhibitory activity of each isomer from the activity of an isomeric mixture and its composition. This protocol is suitable for rapidly generating a variety of arylidene-substituted gelastatin analogues and screening them for highly active inhibitors. (c) 2005 Elsevier Ltd. All rights reserved.