2-chloro-N-phenyl-N-<1-(2-phenylethyl)-4-piperidinyl>acetamide hydrochloride | 82003-67-6

• 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: 2-chloro-N-phenyl-N-<1-(2-phenylethyl)-4-piperidinyl>acetamide hydrochloride
• 英文别名: 2-chloro-N-phenyl-N-[1-(2-phenylethyl)-4-piperidinyl]acetamide hydrochloride；2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;hydrochloride
• CAS: 82003-67-6
• 化学式: C₂₁H₂₅ClN₂O*ClH
• 分子量: 393.356
• InChiKey: ZWNDHLSWCCHYAO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.39
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  23.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-chloro-N-phenyl-N-<1-(2-phenylethyl)-4-piperidinyl>acetamide hydrochloride 、 disodium;carbonate 、 叠氮化钠 生成 2-azido-N-phenyl-N-<1-(2-phenylethyl)-4-piperidinyl>acetamide
  参考文献：
  名称：

  MARYANOFF, B. E.;SIMON, E. J.;GIOANNINI, T.;GORISSEN, H., J. MED. CHEM., 1982, 25, N 8, 913-919

  摘要：

  DOI：
• 作为产物：
  描述：

  N-苯基-1-(2-苯乙基)-4-哌啶胺 、 氯乙酰氯 以 二氯甲烷 为溶剂， 反应 6.0h， 以1.16 g的产率得到2-chloro-N-phenyl-N-<1-(2-phenylethyl)-4-piperidinyl>acetamide hydrochloride
  参考文献：
  名称：

  Potential affinity labels for the opiate receptor based on fentanyl and related compounds

  摘要：

  Derivatives of fentanyl, 3-methylfentanyl, sufentanil, and lofentanil, possessing chemo- or photoaffinity functionalities, were synthesized as potential affinity reagents for the opiate receptor. Opiate receptor binding constants (IC50) were determined in competition experiments with [3H]naloxone and [3H]naltrexone. Affinity-labeling experiments were generally unsuccessful, although some irreversible attachment was achieved with alpha-diazoamide 17 and aryl azide 23.

  DOI：

  10.1021/jm00350a006

文献信息

• Potential affinity labels for the opiate receptor based on fentanyl and related compounds
  作者：Bruce E. Maryanoff、Eric J. Simon、Theresa Gioannini、H. Gorissen

  DOI：10.1021/jm00350a006

  日期：1982.8

  Derivatives of fentanyl, 3-methylfentanyl, sufentanil, and lofentanil, possessing chemo- or photoaffinity functionalities, were synthesized as potential affinity reagents for the opiate receptor. Opiate receptor binding constants (IC50) were determined in competition experiments with [3H]naloxone and [3H]naltrexone. Affinity-labeling experiments were generally unsuccessful, although some irreversible attachment was achieved with alpha-diazoamide 17 and aryl azide 23.
• MARYANOFF, B. E.;SIMON, E. J.;GIOANNINI, T.;GORISSEN, H., J. MED. CHEM., 1982, 25, N 8, 913-919
  作者：MARYANOFF, B. E.、SIMON, E. J.、GIOANNINI, T.、GORISSEN, H.

  DOI：——

  日期：——