1-(17-cyclopropylmethyl-4,5α-epoxy-3,14-dihydroxymorphinan-6β-yl)-pyrrolidin-2-one | 681033-27-2

• 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: 1-(17-cyclopropylmethyl-4,5α-epoxy-3,14-dihydroxymorphinan-6β-yl)-pyrrolidin-2-one
• 英文别名: 1-[(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]pyrrolidin-2-one
• CAS: 681033-27-2
• 化学式: C₂₄H₃₀N₂O₄
• 分子量: 410.513
• InChiKey: NCNNPDJDRPYJAF-ALCRNJQQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.71
• 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：

  1-(17-cyclopropylmethyl-4,5α-epoxy-3,14-dihydroxymorphinan-6β-yl)-pyrrolidin-2-one 在 盐酸 作用下， 生成 1-(17-cyclopropylmethyl-4,5α-epoxy-3,14-dihydroxymorphinan-6β-yl)-pyrrolidin-2-one hydrochloric acid salt
  参考文献：
  名称：

  REMEDIES OR PREVENTIVES FOR URINARY INCONTINENCE AND MORPHINAN DERIVATIVES HAVING NITROGEN-CONTAINING HETEROCYCLIC GROUP

  摘要：

  公开号：

  EP1555266B1
• 作为产物：
  描述：

  6β-(4-chlorobutaneamide)-17-cyclopropylmethyl-4,5α-epoxy-morphinan-3,14-diol 在 potassium tert-butylate 、 碳酸氢钠 作用下， 以 DMF (N,N-dimethyl-formamide) 、 水 为溶剂， 反应 18.0h， 以40%的产率得到1-(17-cyclopropylmethyl-4,5α-epoxy-3,14-dihydroxymorphinan-6β-yl)-pyrrolidin-2-one
  参考文献：
  名称：

  REMEDIES OR PREVENTIVES FOR URINARY INCONTINENCE AND MORPHINAN DERIVATIVES HAVING NITROGEN-CONTAINING HETEROCYCLIC GROUP

  摘要：

  公开号：

  EP1555266B1

文献信息

• Remedies or preventives for urinary frequency or urinary incontinence and morphinan derivatives having nitrogen-containing heterocyclic group
  申请人：Izumimoto Naoki

  公开号：US20060040970A1

  公开（公告）日：2006-02-23

  The invention provides a morphinan derivative of the Formula (I): (wherein R 1 is methyl, cyclopropylmethyl or the like; R 2 and R 3 are hydroxy, methoxy, acetoxy or the like; both Y and Z are valence bonds, —C(═O)— or the like; X is C 2 -C 5 carbon chain (one of the carbon atoms may be substituted by oxygen, sulfur or nitrogen) constituting a part of the ring structure, or the like; (R 4 ) k is substituted or non-substituted benzene fused ring, carbonyl group or the like; R 9 is hydrogen or the like; R 10 and R 11 are bound to represent —O—, or the like, and R 6 is hydrogen or the like) or a pharmaceutically acceptable acid addition salt thereof. The invention also provides a therapeutic or prophylactic agent for urinary frequency or urinary incontinence, comprising as an effective ingredient the morphinan derivative or the pharmaceutically acceptable acid addition salt thereof; a method for therapy or prophylaxis of the diseases.

  该发明提供了一种公式（I）的吗啡类衍生物： 其中，R1为甲基、环丙甲基或类似物；R2和R3分别为羟基、甲氧基、乙酰氧基或类似物；Y和Z均为价键、-C（═O）-或类似物；X为C2-C5碳链（其中一个碳原子可以被氧、硫或氮取代）构成环结构的一部分或类似物；（R4）k为取代或非取代苯融合环、羰基基团或类似物；R9为氢或类似物；R10和R11被结合表示为-O-或类似物，R6为氢或类似物，或其药学上可接受的酸加成盐。该发明还提供了一种治疗或预防尿频或尿失禁的药物，其有效成分为吗啡类衍生物或其药学上可接受的酸加成盐；以及治疗或预防该疾病的方法。
• REMEDIES OR PREVENTIVES FOR URINARY FREQUENCY OR URINARY INCONTINENCE AND MORPHINAN DERIVATIVES HAVING NITROGEN-CONTAINING HETEROCYCLIC GROUP
  申请人：TORAY INDUSTRIES, INC.

  公开号：EP1555266A1

  公开（公告）日：2005-07-20

  The invention provides a morphinan derivative of the Formula (I): [wherein R1 is methyl, cyclopropylmethyl or the like; R2 and R3 are hydroxy, methoxy, acetoxy or the like; both Y and Z are valence bonds, -C(=O)- or the like; X is C2-C5 carbon chain (one of the carbon atoms may be substituted by oxygen, sulfur or nitrogen) constituting a part of the ring structure, or the like; (R4)k is substituted or non-substituted benzene fused ring, carbonyl group or the like; R9 is hydrogen or the like; R10 and R11 are bound to represent -O-, or the like, and R6 is hydrogen or the like] or a pharmaceutically acceptable acid addition salt thereof. The invention also provides a therapeutic or prophylactic agent for urinary frequency or urinary incontinence, comprising as an effective ingredient the morphinan derivative or the pharmaceutically acceptable acid addition salt thereof; a method for therapy or prophylaxis of the diseases, and use for the diseases. The compounds of the invention are useful as a new therapeutic or prophylactic agent for urinary frequency or urinary incontinence, free from side effects, and useful for the method for therapy or prophylaxis of the diseases and for use for the diseases.

  本发明提供了一种式（I）的吗啡烷衍生物： [其中 R1 是甲基、环丙基甲基或类似物；R2 和 R3 是羟基、甲氧基、乙酰氧基或类似物；Y 和 Z 都是价键、-C(＝O)- 或类似物；X 是构成环结构一部分的 C2-C5 碳链（其中一个碳原子可被氧、硫或氮取代）或类似物；(R4)k是取代或非取代的苯融合环、羰基或类似物；R9是氢或类似物；R10和R11结合代表-O-或类似物，R6是氢或类似物]或其药学上可接受的酸加成盐。本发明还提供了一种治疗或预防尿频或尿失禁的药物，其有效成分包括吗啡烷衍生物或其药学上可接受的酸加成盐；一种治疗或预防疾病的方法，以及疾病的用途。 本发明的化合物可作为尿频或尿失禁的新型治疗剂或预防剂，无副作用，并可用于疾病的治疗或预防方法以及疾病的用途。
• 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:
• US7320984B2
  申请人：——

  公开号：US7320984B2

  公开（公告）日：2008-01-22
• US8470845B2
  申请人：——

  公开号：US8470845B2

  公开（公告）日：2013-06-25