1-(tetrahydro-3,3-diphenyl-furan-2-ylidene)-pyrrolidinium bromide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(tetrahydro-3,3-diphenyl-furan-2-ylidene)-pyrrolidinium bromide
• 英文别名: (tetrahydro-3,3-diphenyl-2-furylidene)pyrrolidinium bromide；(tetrahydro-3,3-diphenyl-furan-2-ylidene)pyrrolidinium bromide；1-(tetrahydro-3,3-diphenyl-2-furylidene) pyrrolidinium bromide；1-(3,3-diphenyldihydrofuran-2-ylidene)pyrrolidinium bromide；1-(3,3-diphenyloxolan-2-ylidene)pyrrolidin-1-ium;bromide
• 化学式: Br*C₂₀H₂₂NO
• 分子量: 372.305
• InChiKey: SRIKGPKTBYSQQW-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  12.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(tetrahydro-3,3-diphenyl-furan-2-ylidene)-pyrrolidinium bromide 、 N-苯基-N-(4-哌啶)丙胺 混合盐酸 在 三乙胺 作用下， 以 乙腈 为溶剂， 以75%的产率得到N-(1-(4-oxo-3,3-diphenyl-4-(pyrrolidin-1-yl)butyl)piperidin-4-yl)-N-phenylpropionamide
  参考文献：
  名称：

  WO2008/53352

  摘要：

  公开号：
• 作为产物：
  描述：

  4-bromo-2,2-diphenylbutyric chloride 在 sodium carbonate 、 二甲胺 作用下， 以 水 、 甲苯 为溶剂， 以46.8%的产率得到3,3-二苯基四氢呋喃-2-亚基二甲基溴化胺
  参考文献：
  名称：

  EP1325912

  摘要：

  公开号：

文献信息

• Spray formulations of antihyperalgesic opiates and method of treating
  申请人：Adolor Corporation

  公开号：US05798093A1

  公开（公告）日：1998-08-25

  Spray formulations of anti-pruritic opiates having a peripheral selectivity of 251 to 1,280 in a solvent mixture of up to 15% w/w alcohol selected from the group consisting of ethyl, propyl and isopropyl alcohol and water greater than or equal to 85% w/w water.

  抗瘙痒阿片类喷雾制剂，在乙醇（乙醇、丙醇和异丙醇）含量最高为15%（质量/质量）的溶剂混合物中，外周选择性为251至1,280，水含量大于或等于85%（质量/质量）。
• 4-hydroxy-4-phenylpiperidine derivatives and pharmaceuticals containing the same
  申请人：SSP Co., LTD

  公开号：US06362203B1

  公开（公告）日：2002-03-26

  Described is a 4-hydroxy-4-phenylpiperidine derivative represented by the following formula (1): [wherein, R1 and R2 are the same or different and each independently represents a hydrogen atom, a lower alkyl, or the like, R3 represents a hydrogen atom or a group —(CR4R5)n—Y (in which, R4 and R5 each represents a hydrogen atom or a lower alkyl group, Y represents a group —COOR6, —CONR7R8, —OR9 or —OCOR10 (in which R6, R9 and R10 each independently represents a hydrogen atom, a lower alkyl group, or the like, R7 and R8 are the same or different and each independently represents a hydrogen atom, a lower alkyl group, or the like), and n stands for 1 to 6)], or salt thereof. The compound exhibits excellent peripheral analgesic action.

  描述了一种由以下式子（1）表示的4-羟基-4-苯基哌啶衍生物：[其中，R1和R2相同或不同，每个独立地表示氢原子、低碳基或类似物，R3表示氢原子或基团—(CR4R5)n—Y（其中，R4和R5各自表示氢原子或低碳基，Y表示基团—COOR6、—CONR7R8、—OR9或—OCOR10（其中，R6、R9和R10各自独立地表示氢原子、低碳基或类似物，R7和R8相同或不同，每个独立地表示氢原子、低碳基或类似物），n表示1到6）]，或其盐。该化合物表现出优异的周围镇痛作用。
• 2,2-Diphenylbutanamide derivatives and medicines containing the same
  申请人：——

  公开号：US20040034104A1

  公开（公告）日：2004-02-19

  2,2-Diphenylbutanamide derivatives represented by the following formula (1): 1 [wherein A represents —(CH 2 ) n — (n is 1 or 2) or a methine (CH) group; when A is —CH 2 —, B represents a methine group or a nitrogen atom, with A and B forming a single bond; when A is —(CH 2 ) 2 —, B represents a nitrogen atom, with A and B forming a single bond; when A is a methine group, B represents a quaternary carbon atom, with A and B forming a double bond; each of R 1 and R 2 , which are identical to or different from each other, represents a hydrogen atom, a lower alkyl group, or a cycloalkyl group, or R 1 and R 2 may form a heterocyclic ring together with the adjacent nitrogen atom; and Ar represents an optionally substituted phenyl group, bicyclic aromatic ring, monocyclic heterocyclic ring, bicyclic heterocyclic ring, or fluorene group]; or salts of the derivatives. The derivatives or salts thereof exhibit excellent &mgr;-opioid agonist activity and analgesic activity against neuropathic pain, and are useful as medicines such as peripheral analgesic drugs and neuropathic pain relieving drugs.

  以下式子（1）所表示的2,2-二苯基丁酰胺衍生物： 1[其中，A代表—（CH2）n—（n为1或2）或甲基（CH）基团；当A为—CH2—时，B代表甲基基团或氮原子，A和B形成单键；当A为—（CH2）2—时，B代表氮原子，A和B形成单键；当A为甲基基团时，B代表四价碳原子，A和B形成双键；R1和R2各自表示氢原子、低碳基或环烷基，或者R1和R2与相邻氮原子一起形成杂环；Ar表示可选取代的苯基、双环芳香环、单环杂环环、双环杂环环或芴基；以及其衍生物的盐。] 这些衍生物或其盐表现出优异的μ-阿片受体激动剂活性和对神经病理性疼痛的镇痛活性，可用作外周镇痛药和神经病理性疼痛缓解药等药物。
• Phenylpropionamide Compounds and the Use Thereof
  申请人：Zhou Xiaoming

  公开号：US20100234426A1

  公开（公告）日：2010-09-16

  The invention relates to phenylpropionamide compounds of Formula (I): and pharmaceutically acceptable salts, prodrugs, and solvates thereof, wherein A, B, R 1 , R 2 , R 3 , R 4 and R 5 are defined as set forth in the specification. The invention is also directed to the use of compounds of Formula (I) to treat, prevent or ameliorate a disorder responsive to the activation of opioid receptors, particularly μ-opioid receptors. Compounds of the present invention are especially useful for treating pain.

  本发明涉及公式（I）的苯丙酰胺化合物及其药学上可接受的盐、前药和溶剂化物，其中A、B、R1、R2、R3、R4和R5如规范中所述。本发明还涉及使用公式（I）的化合物来治疗、预防或缓解对阿片受体激活有反应的疾病，特别是μ-阿片受体。本发明的化合物对于治疗疼痛特别有用。
• Phenylpropionamide compounds and the use thereof
  申请人：Zhou Xiaoming

  公开号：US08481743B2

  公开（公告）日：2013-07-09

  The invention relates to phenylpropionamide compounds of Formula (I): and pharmaceutically acceptable salts, prodrugs, and solvates thereof, wherein A, B, R1, R2, R3, R4 and R5 are defined as set forth in the specification. The invention is also directed to the use of compounds of Formula (I) to treat, prevent or ameliorate a disorder responsive to the activation of opioid receptors, particularly μ-opioid receptors. Compounds of the present invention are especially useful for treating pain.

  本发明涉及公式（I）的苯丙酰胺化合物及其药学上可接受的盐、前药和溶剂化物，其中A、B、R1、R2、R3、R4和R5如规范中所述。本发明还涉及使用公式（I）的化合物来治疗、预防或改善对阿片受体激活有反应的疾病，特别是μ-阿片受体。本发明的化合物特别适用于治疗疼痛。