1-[1-（环辛基甲基）-5-（羟甲基）-3,6-二氢-2H-吡啶-4-基]-3-乙基苯并咪唑-2-盐酸盐 | 873567-76-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 1-[1-（环辛基甲基）-5-（羟甲基）-3,6-二氢-2H-吡啶-4-基]-3-乙基苯并咪唑-2-盐酸盐
• 中文别名: 基)-1,2,3,6-四氢-5-(羟基甲基)-4-吡啶]-3-乙基-1,3-二氢-2H-苯并咪唑-2-酮盐酸盐；1-[1-(环辛基甲基)-1,2,3,6-四氢-5-(羟基甲基)-4-吡啶基]-3-乙基-1,3-二氢-2H-苯并咪唑-2-酮
• 英文名称: 1-(1-(Cyclooctylmethyl)-5-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-4-yl)-3-ethyl-1H-benzo[d]imidazol-2(3H)-one hydrochloride
• 英文别名: 1-[1-(cyclooctylmethyl)-5-(hydroxymethyl)-3,6-dihydro-2H-pyridin-4-yl]-3-ethylbenzimidazol-2-one;hydrochloride
• CAS: 873567-76-1；1216621-00-9
• 化学式: C24H36ClN3O2
• 分子量: 434.0
• InChiKey: YEVMLMQAMCKVSC-UHFFFAOYSA-N

物化性质

• 溶解度：
  H2O：≥10mg/mL

计算性质

• 辛醇/水分配系数(LogP)：
  4.51
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  47
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

制备方法与用途

生物活性

Trap-101 hydrochloride 是一种有效的，选择性和竞争性的 NOP receptors 拮抗剂 ，对 NOP 受体的选择性高于对其他的阿片受体。Trap-101 刺激 GTPγ35S 结合到 CHOhNOP，NOP、μ-，κ- 和 δ 阿片受体的 pKi 值分别为 8.65, 6.60, 6.14 和 <5。Trap-101 减弱帕金森病大鼠运动缺陷，可用于神经系统疾病的研究。

靶点

pKi: 8.65 (NOP receptor); 6.60 (μ-opioid receptor); 6.14 (κ-opioid receptor); < 5 (δ-opioid receptor)

体外研究

Trap-101 hydrochloride (3, 30, and 300 nM) is inactive per se up to 10 μM, while in the range 3-300 nM, it produces a concentration dependent rightward shift of the concentration-response curve to N/OFQ without modifications of the maximal response to the agonist. Receptor binding affinities of Trap101 (pK _i values) at recombinant human NOP, and classical opioid receptors expressed in CHO cell membranes are 8.65, 6.60, 6.14 and < 5 for NOP, μ-, κ-, and δ-opioid receptors respectively.

体内研究

Trap-101 hydrochloride (10-30 mg/kg; detected after 90 min) changes motor activity in naïve rats, it causes a delayed increase in the immobility time in the bar test at 30 mg/kg, Moreover, it increased stepping activity and rotarod performance at 10 mg/kg and reduces them at 30 mg/kg.6-OHDA lesioning produces motor asymmetry mostly affecting the contralateral paw and overall reduced motor performance. Trap-101 hydrochloride (intraperitoneal injection; 10-30 mg/kg; detected after 90 min) alleviates akinesia/bradykinesia and improves overall gait ability in hemiparkinsonian rats, being effective starting at 1 mg/kg and without worsening motor deficit at 30 mg/kg.

Animal Model:	6-OHDA hemilesioned rats
Dosage:	10-30 mg/kg
Administration:	Intraperitoneal injection; 10-30 mg/kg; detected after 90 min
Result:	Attenuated parkinsonian-like motor deficits in rat.