methyl 2-((R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate | 200866-89-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl 2-((R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate
• 英文别名: methyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate
• CAS: 200866-89-3
• 化学式: C₈H₁₂O₅
• 分子量: 188.18
• InChiKey: CHVMKEZDRNFONU-RXMQYKEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 2-((R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate 在 盐酸 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 1-O-methyl (3R)-3-hydroxysuccinate
  参考文献：
  名称：

  [EN] QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS
  [FR] QUINAZOLINES UTILES EN TANT QUE MODULATEURS DE CANAUX IONIQUES

  摘要：

  本发明涉及作为电压门控钠通道抑制剂的化合物。该发明还提供了包含本发明化合物的药用可接受组合物，以及使用这些组合物治疗各种疾病的方法。

  公开号：

  WO2006028904A1
• 作为产物：
  描述：

  2,2-二甲氧基丙烷 在 对甲苯磺酸 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 4.0h， 生成 methyl 2-((R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate
  参考文献：
  名称：

  Matrix Metalloproteinase Inhibitors:  A Structure−Activity Study

  摘要：

  Modifications around the dipeptide-mimetic core of a hydroxamic acid based matrix metalloproteinase inhibitor were studied. These variations incorporated a variety of natural, unnatural, and synthetic amino acids in addition to modifications of the P1' and P3' substituents. The results of this study indicate the following structural requirements: (1) Two key hydrogen bonds must be present between the enzyme and potent substrates. (2) Potent inhibitors must possess strong zinc-binding functionalities. (3) The potential importance of the hydrophobic group at position R3 as illustrated by its ability to impart greater relative potency against stromelysin when larger hydrophobic groups are used. (4) Requirements surrounding the nature of the amino acid appear to be more restrictive for stromelysin than for neutrophil collagenase, 72 kDa gelatinase, and 92 kDa gelatinase. These requirements may involve planar fused-ring aryl systems and possibly hydrogen-bonding capabilities.

  DOI：

  10.1021/jm970494j

文献信息

• [EN] QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS<br/>[FR] QUINAZOLINES UTILES EN TANT QUE MODULATEURS DE CANAUX IONIQUES
  申请人：VERTEX PHARMA

  公开号：WO2006028904A1

  公开（公告）日：2006-03-16

  The present invention relates to compounds useful as inhibitors of voltage-gated sodium channels. The invention also provides pharmaceutically acceptable compositions comprising the compounds of the invention and methods of using the compositions in the treatment of various disorders.

  本发明涉及作为电压门控钠通道抑制剂的化合物。该发明还提供了包含本发明化合物的药用可接受组合物，以及使用这些组合物治疗各种疾病的方法。
• Quinazolines useful as modulators of ion channels
  申请人：Wilson Dean

  公开号：US20060173018A1

  公开（公告）日：2006-08-03

  The present invention relates to compounds useful as inhibitors of voltage-gated sodium channels. The invention also provides pharmaceutically acceptable compositions comprising the compounds of the invention and methods of using the compositions in the treatment of various disorders.

  本发明涉及作为电压门控钠通道抑制剂有用的化合物。本发明还提供了包括本发明化合物的药学上可接受的组合物，以及使用这些组合物治疗各种疾病的方法。
• Restricted Conformation Analogues of an Anthelmintic Cyclodepsipeptide
  作者：Fred E. Dutton、Byung H. Lee、Sandra S. Johnson、Eileen M. Coscarelli、Pil H. Lee

  DOI：10.1021/jm020482k

  日期：2003.5.1

  Six analogues of the anthelmintic cyclodepsipeptide PF1022A were prepared, each containing a small ring fused to the macrocycle to restrict the number of conformations the larger ring can adopt. It was anticipated that such conformational changes could lead to enhanced biological activity and selectivity. The analogues form two series of three members each. In one series, a carbon-based molecular bridge joins the methyl of a leucine residue with the methyl of its closest lactic acid residue to form five-, six-, and seven-membered lactam rings. In the second series, a leucine residue is replaced with five-, six-, and seven-membered nitrogen heterocycles. Decreasing the size of the small ring in the lactam. series increasingly distorts the macrocycle and consistently decreases activity relative to PF1022A. In the leucine series, a similar trend is observed. Molecular modeling of PF1022A along with the analogues described herein suggests that the ability to exist in a highly symmetrical conformational state is a necessary condition for biological activity.
• QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS
  申请人：VERTEX PHARMACEUTICALS INCORPORATED

  公开号：EP1784393A1

  公开（公告）日：2007-05-16
• US7928107B2
  申请人：——

  公开号：US7928107B2

  公开（公告）日：2011-04-19