2-(17-cyclopropylmethyl-4,5α-epoxy-3,14-dihydroxymorphinan-6β-yl)-2,3-dihydro-isoisoindol-1-one | 681030-57-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 2-(17-cyclopropylmethyl-4,5α-epoxy-3,14-dihydroxymorphinan-6β-yl)-2,3-dihydro-isoisoindol-1-one
• 英文别名: 2-[17-cyclopropylmethyl-4,5α-epoxy-3,14-dihydroxy-morphinan-6β-yl]-2,3-dihydro-isoindol-1-one；2-[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3H-isoindol-1-one
• CAS: 681030-57-9
• 化学式: C₂₈H₃₀N₂O₄
• 分子量: 458.557
• InChiKey: WJSVFIQDXXFPLI-RDGDOILBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  34
• 可旋转键数：
  3
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  73.2
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(17-cyclopropylmethyl-4,5α-epoxy-3,14-dihydroxymorphinan-6β-yl)-2,3-dihydro-isoisoindol-1-one 、 酒石酸 生成 2-(17-cyclopropylmethyl-4,5α-epoxy-3,14-dihydroxymorphinan-6β-yl)-2,3-dihydro-isoisoindol-1-one tartaric acid salt
  参考文献：
  名称：

  EP1736157

  摘要：

  公开号：
• 作为产物：
  描述：

  2-溴甲基苯甲酸 在 4-二甲氨基吡啶 、 copper(l) iodide 、 Merrifield azide resin 、 N,N-二异丙基乙胺 、 N,N'-二异丙基碳二亚胺 作用下， 以 四氢呋喃 为溶剂， 反应 20.0h， 生成 2-(17-cyclopropylmethyl-4,5α-epoxy-3,14-dihydroxymorphinan-6β-yl)-2,3-dihydro-isoisoindol-1-one
  参考文献：
  名称：

  固相/溶液相环化试剂：环胺衍生物的一步合成。

  摘要：

  DOI：

  10.1002/anie.200501665

文献信息

• REMEDIES OR PREVENTIVES FOR URINARY INCONTINENCE AND MORPHINAN DERIVATIVES HAVING NITROGEN-CONTAINING HETEROCYCLIC GROUP
  申请人：TORAY INDUSTRIES, INC.

  公开号：EP1555266B1

  公开（公告）日：2014-05-21
• Analgesic
  申请人：Izumimoto Naoki

  公开号：US20070299100A1

  公开（公告）日：2007-12-27

  An analgesic which may be applied to wide variety of pain from various causes is disclosed. The analgesic comprises as an effective ingredient a specific morphinan derivative having a nitrogen containing heterocyclic group, such as compound 1:
• Anti-Itching Agent
  申请人：Izumimoto Naoki

  公开号：US20080275074A1

  公开（公告）日：2008-11-06

  A novel antipruritic useful for the treatment of pruritus accompanying various diseases is disclosed. The antipruritic comprises a specific morphinan derivative having a nitrogen-containing cyclic group or the pharmaceutically acceptable acid addition salt thereof such as N-(17-cyclopropylmethyl-4,5α-epoxy-3,14-dihydroxy-morphinan-6β-yl)-phthalimide hydrochloric acid salt or N-(17-cyclopropylmethyl-4,5α-epoxy-3,14-dihydroxy-morphinan-6β-yl)-3,4,5,6-tetrahydrophthalimide tartaric acid salt.
• Antitussive Agent
  申请人：Izumimoto Naoki

  公开号：US20090176818A1

  公开（公告）日：2009-07-09

  An antitussive, which can be used for therapy or prophylaxis of coughing, is disclosed. The antitussive comprises as an effective ingredient a morphinan derivative having a nitrogen-containing cyclic substituent or a pharmaceutically acceptable acid addition salt thereof, having a specific structure, such as the compound below [N-(17-cyclopeopylmethyl-4,5α-epoxy-3,14-dihydroxy-morphinan-6β-yl)-3,4,5,6-tetrahydrophthalimide]. The antitussive has an excellent therapeutic or prophylactic effect against coughing and the side effects thereof are small.
• US7320984B2
  申请人：——

  公开号：US7320984B2

  公开（公告）日：2008-01-22