cis-3-nitro-6,6a-dihydro-1aH-indeno[1,2-b]oxirene | 202749-08-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: cis-3-nitro-6,6a-dihydro-1aH-indeno[1,2-b]oxirene
• 英文别名: (1aS,6aR)-3-nitro-6,6a-dihydro-1aH-indeno[1,2-b]oxirene
• CAS: 202749-08-4
• 化学式: C₉H₇NO₃
• 分子量: 177.159
• InChiKey: LSGSXZGXMYIPGF-BDAKNGLRSA-N

物化性质

• 沸点：
  307.9±42.0 °C(Predicted)
• 密度：
  1.474±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  58.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  cis-3-nitro-6,6a-dihydro-1aH-indeno[1,2-b]oxirene 在 ammonium hydroxide 、 三乙胺 、 tin(ll) chloride 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 2.0h， 生成 N-[(1R,2R)-6-amino-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide
  参考文献：
  名称：

  Aryl sulfonamido indane inhibitors of the Kv1.5 ion channel

  摘要：

  A collection of aryl sulfonamido indanes based on the lead compound I was synthesized and evaluated for Kv1.5 inhibitory activity. Kv1.5 inhibitors have the potential to be atrium-selective agents for treatment of atrial fibrillation. (1R,2R)-1 has an IC50 of 0.033 mu M against Kv1.5 and is selective against other cardiac ion channels, including hERG. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.02.052
• 作为产物：
  描述：

  茚满 在 (S,S)-Mn-salen sodium hypochlorite 、 sodium tetrahydroborate 、 sodium dihydrogenphosphate 、 硫酸 、 硝酸 、 对甲苯磺酸 作用下， 以 甲醇 、 二氯甲烷 、 甲苯 为溶剂， 生成 cis-3-nitro-6,6a-dihydro-1aH-indeno[1,2-b]oxirene
  参考文献：
  名称：

  Aryl sulfonamido indane inhibitors of the Kv1.5 ion channel

  摘要：

  A collection of aryl sulfonamido indanes based on the lead compound I was synthesized and evaluated for Kv1.5 inhibitory activity. Kv1.5 inhibitors have the potential to be atrium-selective agents for treatment of atrial fibrillation. (1R,2R)-1 has an IC50 of 0.033 mu M against Kv1.5 and is selective against other cardiac ion channels, including hERG. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.02.052

文献信息

• [EN] ACRYLAMIDE-SUBSTITUTED INDANE COMPOUNDS AND THERAPEUTIC USE THEREOF<br/>[FR] COMPOSÉS D'INDANE À SUBSTITUTION ACRYLAMIDE ET LEUR UTILISATION THÉRAPEUTIQUE
  申请人：SANOFI SA

  公开号：WO2022023460A1

  公开（公告）日：2022-02-03

  The invention relates to indane compounds of formula (I): to their preparation and to their therapeutic use.

  该发明涉及化合物I的茚烷衍生物，其制备方法和治疗应用。
• Aryl sulfonamido indane inhibitors of the Kv1.5 ion channel
  作者：Michael F. Gross、Serge Beaudoin、Grant McNaughton-Smith、George S. Amato、Neil A. Castle、Christine Huang、Anruo Zou、Weifeng Yu

  DOI：10.1016/j.bmcl.2007.02.052

  日期：2007.5

  A collection of aryl sulfonamido indanes based on the lead compound I was synthesized and evaluated for Kv1.5 inhibitory activity. Kv1.5 inhibitors have the potential to be atrium-selective agents for treatment of atrial fibrillation. (1R,2R)-1 has an IC50 of 0.033 mu M against Kv1.5 and is selective against other cardiac ion channels, including hERG. (c) 2007 Elsevier Ltd. All rights reserved.