1-[4-(3-methoxy-phenyl)-1-methyl-piperidin-4-yl]-propan-1-one | 43152-59-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-[4-(3-methoxy-phenyl)-1-methyl-piperidin-4-yl]-propan-1-one
• 英文别名: 1-[4-(3-methoxy-phenyl)-1-methyl-[4]piperidyl]-propan-1-one；1-[4-(3-Methoxy-phenyl)-1-methyl-[4]piperidyl]-propan-1-on；1-(4-(3-Methoxyphenyl)-1-methyl-4-piperidinyl)-1-propanone；1-[4-(3-methoxyphenyl)-1-methylpiperidin-4-yl]propan-1-one
• CAS: 43152-59-6
• 化学式: C₁₆H₂₃NO₂
• 分子量: 261.364
• InChiKey: LFOGAHGDLSGJTE-UHFFFAOYSA-N

物化性质

• 熔点：
  53-55 °C
• 沸点：
  126-128 °C(Press: 0.02 Torr)
• 密度：
  1.037±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-[4-(3-methoxy-phenyl)-1-methyl-piperidin-4-yl]-propan-1-one 在 水 、 氢溴酸 作用下， 生成 凯托米酮
  参考文献：
  名称：

  合成新的吗啡吗啉4-苯基哌啶-4-烷基酮与普通化合物

  摘要：

  苄基氰化合酶，可以合成4-取代基4-苯基-哌啶基苯乙酮，由哌啶丁环和大环庚烯基哌啶烯基四烯基4-苯环哌啶酮组成。Letingster folgt aus denungewöhnlichsoften Bedingungen，unter denen sich folgende Reaktionendurchführenfallssen：

  DOI：

  10.1002/hlca.19490320736
• 作为产物：
  描述：

  氮芥 在 乙醚 、 sodium amide 、 甲苯 作用下， 生成 1-[4-(3-methoxy-phenyl)-1-methyl-piperidin-4-yl]-propan-1-one
  参考文献：
  名称：

  DE752755

  摘要：

  公开号：

文献信息

• [EN] COMPOSITIONS AND METHODS FOR TREATMENT OF SEVERE PAIN<br/>[FR] COMPOSITIONS ET MÉTHODES DE TRAITEMENT DE LA DOULEUR SÉVÈRE
  申请人：KANDULA MAHESH

  公开号：WO2013168010A1

  公开（公告）日：2013-11-14

  Compounds or their pharmaceutical acceptable salts, as well as polymorphs, solvates, enantiomers, stereoisomers and hydrates thereof. The pharmaceutical compositions comprising an effective amount of compounds of formula (I), and methods for the treatment of severe pain may be formulated for oral, buccal, rectal, topical, transdermal, transmucosal, intravenous, parenteral administration, syrup, or injection. Such compositions may be used to treatment of postoperative pain, cancer pain, kidney stones pain, fractures, local pain, chronic pain, chemotherapy induced pain, neuropathic pain, post herpetic neuralgia, motor neurone disease, diabetic neuropathy, postherpetic neuralgia, injury, post-operative pain, osteoarthritis, rheumatoid arthritis, multiple sclerosis, spinal cord injury, migraine, HIV related neuropathic pain, cancer pain and lower back pain.

  化合物或其药学可接受的盐，以及其多晶形、溶剂化物、对映体、立体异构体和水合物。该公式（I）化合物的有效量的药物组合物，以及治疗严重疼痛的方法，可制成口服、颊粘、直肠、局部、经皮、经黏膜、静脉、肌肉注射、糖浆或注射剂形式。这些组合物可用于治疗术后疼痛、癌症疼痛、肾结石疼痛、骨折、局部疼痛、慢性疼痛、化疗引起的疼痛、神经痛、带状疱疹后神经痛、运动神经病、糖尿病神经病、手术后神经痛、骨关节炎、类风湿性关节炎、多发性硬化症、脊髓损伤、偏头痛、艾滋病相关的神经病痛、癌症疼痛和腰痛的治疗。
• COMPOSITIONS AND METHODS FOR THE TREATMENT OF SEVERE PAIN
  申请人：KANDULA Mahesh

  公开号：US20150087674A1

  公开（公告）日：2015-03-26

  The invention relates to the compounds of formula I or its pharmaceutical acceptable salts, as well as polymorphs, solvates, enantiomers, stereoisomers and hydrates thereof. The pharmaceutical compositions comprising an effective amount of compounds of formula I, and methods for the treatment of severe pain may be formulated for oral, buccal, rectal, topical, transdermal, transmucosal, intravenous, parenteral administration, syrup, or injection. Such compositions may be used to treatment of postoperative pain, cancer pain, kidney stones pain, fractures, local pain, chronic pain, chemotherapy induced pain, neuropathic pain, post herpetic neuralgia, neuralgia, motor neurone disease, diabetic neuropathy, postherpetic neuralgia, injury, post-operative pain, osteoarthritis, rheumatoid arthritis, multiple sclerosis, spinal cord injury, migraine, HIV related neuropathic pain, cancer pain and lower back pain.

  本发明涉及化合物I式或其药学上可接受的盐，以及其多晶形、溶剂化物、对映体、立体异构体和水合物。含有化合物I式的有效量的药物组合物，可以制成口服、颊下、直肠、局部、经皮、经黏膜、静脉、全身性给药、糖浆或注射剂形式。这些组合物可以用于治疗术后疼痛、癌症疼痛、肾结石疼痛、骨折、局部疼痛、慢性疼痛、化疗引起的疼痛、神经病性疼痛、带状疱疹后神经痛、神经痛、运动神经病、糖尿病神经病、带状疱疹后神经痛、损伤、术后疼痛、骨关节炎、类风湿性关节炎、多发性硬化、脊髓损伤、偏头痛、艾滋病相关神经病性疼痛、癌症疼痛和腰痛的治疗。
• Opioids and efflux transporters. Part 3: P-glycoprotein substrate activity of 3-hydroxyl addition to meperidine analogs
  作者：Susan L. Mercer、Christopher W. Cunningham、Natalie D. Eddington、Andrew Coop

  DOI：10.1016/j.bmcl.2008.04.046

  日期：2008.6

  Numerous studies have shown that many clinically employed opioid analgesics are substrates for P-glycoprotein (P-gp), suggesting that up-regulation of P-gp may contribute to the development of central tolerance to opioids. The studies herein focus on the development of SAR for P-gp substrate activity in the meperidine series of opioids. Addition of a 3-OH to meperidine and the ketone analog of meperidine yielding bemidone and ketobemidone, respectively, significantly increased P-gp substrate affinity. The results of this study have implications in the development of novel analgesics to be utilized as tools to study the contribution of P-gp on the development of central tolerance to opioids. (C) 2008 Elsevier Ltd. All rights reserved.
• 305. Synthetic analgesics. Part VIII. Further attempts to prepare 3-phenylpiperidine derivatives
  作者：A. W. D. Avison、A. L. Morrison

  DOI：10.1039/jr9500001474

  日期：——
• US3970656A
  申请人：——

  公开号：US3970656A

  公开（公告）日：1976-07-20