1-[3-[(E)-3-phenylprop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]ethanone

• 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-[3-[(E)-3-phenylprop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]ethanone
• 化学式: C₁₇H₂₂N₂O
• 分子量: 270.37
• InChiKey: KWEHNKOTZJLUGK-VMPITWQZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• Diazabicyclic compounds and microemulsions thereof
  申请人：Neuroscienze Pharmaness S.C. A R.L.

  公开号：EP2149370A1

  公开（公告）日：2010-02-03

  Pharmaceutical compositions in the form of microemulsions comprising the following components, in amounts expressed as % by weight, the sum of the components being 100%: S) from 0.01 to 95% of one or more pharmaceutically acceptable compounds, selected from the following classes: surfactants; polymers forming organized structures as micelles, liquid crystals, vesicles in the liquid in which they are solubilized; O) from 0.01 to 95% of one or more oils, PA) from 0.001 to 90% of diazabicyclic compounds having formula A': wherein t, r, Y, W have the meanings reported in the description, AD) from 0 to 60% by weight of one or more compounds selected from the following classes: - modifiers of water and/or oil polarity, - modifiers of the curvature of the film of component S), - co-surfactants, water from 0.01 to 99.9%.

  微乳剂形式的药物组合物，包括以下成分，按重量百分比表示，各成分之和为100%：S）0.01至95%的一种或多种药用可接受化合物，选自以下类别：表面活性剂；形成有序结构的聚合物，如胶囊、液晶、液体中的囊泡；O）0.01至95%的一种或多种油；PA）0.001至90%的具有A'式的二氮杂双环化合物，其中t、r、Y、W在描述中有所说明；AD）0至60%的一种或多种化合物，选自以下类别：- 调节水和/或油极性的调节剂，- 调节组分S)膜的曲率的调节剂，- 辅助表面活性剂，水0.01至99.9%。
• MICROEMULSIONS
  申请人：LAZZARI Paolo

  公开号：US20100029622A1

  公开（公告）日：2010-02-04

  Pharmaceutical compositions in the form of microemulsions comprising the following components, in amounts expressed as % by weight, the sum of the components being 100%: S) from 0.01 to 95% of one or more pharmaceutically acceptable compounds, selected from the following classes: surfactants; polymers forming organized structures as micelles, liquid crystals, vesicles in the liquid in which they are solubilized; 0) from 0.01 to 95% of one or more oils, PA) from 0.001 to 90% of diazabicyclic compounds having formula A′: wherein t, r, Y, W have the meanings reported in the description, AD) from 0 to 60% by weight of one or more compounds selected from the following classes: modifiers of water and/or oil polarity, modifiers of the curvature of the film of component S), co-surfactants, water from 0.01 to 99.9%.

  微乳剂形式的药物组合物，包括以下成分，按重量百分比表示，各成分之和为100%:S) 0.01至95%的一个或多个药用可接受化合物，从以下类别中选择：表面活性剂；形成有序结构的聚合物，如胶束、液晶、液滴，它们在所溶解的液体中；0) 0.01至95%的一个或多个油；PA) 具有A′式的二氮杂双环化合物，其含量为0.001至90%，其中t、r、Y、W的含义如描述中所述；AD) 0至60%的一个或多个化合物，选择自以下类别：调节水和/或油极性的调节剂，调节成分S)膜的曲率的调节剂，共表面活性剂，水含量为0.01至99.9%。
• 3,8-DIAZABICYCLO 3.2.1]OCTANE DERIVATIVES HAVING ANALGESIC ACTIVITY
  申请人：RIACE ESTABLISHMENT

  公开号：EP0746560A1

  公开（公告）日：1996-12-11
• [EN] 3,8-DIAZABICYCLO[3.2.1]OCTANE DERIVATIVES HAVING ANALGESIC ACTIVITY<br/>[FR] DERIVES DE 3,8-DIAZABICYCLO[3.2.1]OCTANE POSSEDANT UNE ACTIVITE ANALGESIQUE
  申请人：RIACE ESTABLISHMENT

  公开号：WO1995023152A1

  公开（公告）日：1995-08-31

  (EN) Compounds of general formula (I) wherein R and R1, different from each other, are a straight or branched C2-C8 acyl group; a group of formula -CH2-(A)-B wherein: A is a single bond between two carbon atoms, or a group of formula -CH=CH-, -CH2-CO-, B is a C6-C10 aryl group, optionally substituted, at the ortho-, meta- and para-positions, with one or more substituents, which are the same or different, selected from the group consisting of CONHR, carboxyl, cyano, nitro, NHCOR; an aromatic heterocyclic or alicyclic group with 5 or 6 members in the ring, optionally benzocondensed, having at least one heteroatom selected from nitrogen, oxygen, sulfur; said heterocyclic group optionally having one or more substituents as described above for the aryl group; with the proviso that when one of R or R1 is the propionyl group, the other can not be the cinnamyl group or the p-nitrocinnamyl group, and when R is the propionyl group, R1 cannot be o-, or m-nitrocinnamyl; and the pharmaceutically acceptable salts thereof. Compounds of formula (I) have central analgesic activity.(FR) Composés de la formule générale (I) ainsi que leurs sels pharmaceutiquement acceptables. Dans cette formule, R et R1 sont différents l'un de l'autre et représentent un groupe acyle C2-C8 droit ou ramifié, un groupe ayant la formule -CH2-(A)-B dans laquelle A représente une liaison simple entre deux atomes de carbone, ou un groupe de formule -CH=CH-, -CH2-CO-, B représente un groupe aryle C6-C10, facultativement substitué aux positions ortho-, méta- et para-, par un ou plusieurs substituants qui peuvent être semblables ou différents, choisis dans le groupe comprenant CONHR, carboxyle, cyano, nitro, NHCOR; un groupe hétérocyclique ou alicyclique possédant 5 ou 6 éléments dans le cycle, facultativement benzocondensé, et contenant au moins un hétéroatome choisi parmi azote, oxygène, soufre; ce groupe hétérocyclique possédant un ou plusieurs substituants tels ceux décrits ci-dessus pour le groupe aryle; à la condition que lorsque R ou R1 représente un groupe propionyle, l'autre ne peut pas représenter un groupe cinnamyle ou le groupe p-nitrocinnamyle, et lorsque R représente le groupe propionyle, R1 ne peut pas représenter o-, ou m-nitrocinnamyle. Les composés de la formule (I) possèdent une activité analgésique au niveau du système nerveux central.