N-(2,6-二甲基苯基)戊酰胺 | 33098-77-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-(2,6-二甲基苯基)戊酰胺
• 英文名称: Valeriansaeure-(2,6-dimethyl-anilid)
• 英文别名: N-(2,6-dimethylphenyl)pentanamide
• CAS: 33098-77-0
• 化学式: C₁₃H₁₉NO
• mdl: MFCD01338816
• 分子量: 205.3
• InChiKey: NKAJIRABTPKGEC-UHFFFAOYSA-N

物化性质

• 熔点：
  72-73 °C(Solv: benzene (71-43-2))
• 沸点：
  329.0±11.0 °C(Predicted)
• 密度：
  1.003±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.461
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  正丁基锂 、 Trifluoracetyl-2',6'-dimethylanilid 以 四氢呋喃 为溶剂， 以60%的产率得到N-(2,6-二甲基苯基)戊酰胺
  参考文献：
  名称：

  Unexpected formation of substituted anilides via reactions of trifluoroacetanilides with lithium reagents

  摘要：

  三氟乙酰苯胺与各种有机锂试剂的反应以良好的收率得到相应的取代苯胺。

  DOI：

  10.1039/a808004f

文献信息

• Novel Formulations For Opioid-Based Treatments Of Pain Comprising 1-(1,2-Disubstituted Piperidinyl)-4-Substituted Piperazine Derivatives
  申请人：Janssens Frans Eduard

  公开号：US20080070924A1

  公开（公告）日：2008-03-20

  This invention concerns novel formulations for opioid-based treatments of pain and/or nociception comprising opioid analgesics and 1-(1,2-disubstituted piperidinyl)-4-substituted piperazine derivatives having neurokinin antagonistic activity, in particular NK 1 antagonistic activity the use of said formulation for the manufacture of a medicament for the prevention and/or treatment of emesis, pain and/or nociception, in particular in acute and chronic pain treatments, more in particular in inflammatory, post-operative, emergency room (ER), breakthrough, neuropathic and cancer pain treatments and the use of an NK 1 -receptor antagonist for the manufacture of a medicament for the prevention and/or treatment of respiratory depression and tolerance in opioid-based treatments of pain. The pharmaceutical formulations according to the invention comprise NK 1 -antagonists according to the general Formula (I) the pharmaceutically acceptable acid or base addition salts thereof, the stereochemically isomeric forms thereof, the N-oxide form thereof and prodrugs thereof, wherein all substituents are defined as in claim 1. The pharmaceutical composition according to the invention reduces to a large extent a number of unwanted side-effects associated with opioid analgesics, in particular respiratory depression and tolerance, thereby increasing the total tolerability of said opioids in pain treatment.

  本发明涉及一种新型的阿片类止痛和/或止痛药物治疗的配方，包括阿片类镇痛剂和1-(1,2-二取代哌啶基)-4-取代哌嗪衍生物，具有神经激肽拮抗活性，特别是NK1拮抗活性。所述配方的用途是制造用于预防和/或治疗呕吐、疼痛和/或痛觉的药物，特别是在急性和慢性疼痛治疗中，更特别是在炎症、术后、急诊室、突破性、神经病理性和癌症疼痛治疗中；以及使用NK1受体拮抗剂制造用于预防和/或治疗阿片类止痛药物治疗中的呼吸抑制和耐受性的药物。本发明的制药配方包括一般式(I)的NK1拮抗剂、其药学上可接受的酸或碱盐、其立体化学异构体形式、其N-氧化物形式和其前药，其中所有取代基均如权利要求1所定义。本发明的制药组合物大大减少了与阿片类镇痛剂相关的许多不良副作用，特别是呼吸抑制和耐受性，从而增加了在疼痛治疗中阿片类药物的总耐受性。
• Charged ion channel blockers and methods for use
  申请人：Nocion Therapeutics, Inc.

  公开号：US10934263B2

  公开（公告）日：2021-03-02

  The invention provides compounds of Formula (I), or pharmaceutically acceptable salts thereof: The compounds, compositions, methods and kits of the invention are useful for the treatment of pain, cough, itch, and neurogenic inflammation.

  本发明提供了式（I）化合物或其药学上可接受的盐类： 本发明的化合物、组合物、方法和试剂盒可用于治疗疼痛、咳嗽、瘙痒和神经源性炎症。
• CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE
  申请人：Nocion Therapeutics, Inc.

  公开号：US20200290979A1

  公开（公告）日：2020-09-17

  The invention provides compounds of Formula (I), or pharmaceutically acceptable salts thereof: The compounds, compositions, methods and kits of the invention are useful for the treatment of pain, cough, itch, and neurogenic inflammation.
• Unexpected formation of substituted anilides via reactions of trifluoroacetanilides with lithium reagents
  作者：Keith Smith、Gamal A. El-Hiti、Anna Hamilton

  DOI：10.1039/a808004f

  日期：——

  Reactions of trifluoroacetanilides with various organolithium reagents give the corresponding substituted anilides in good yields.

  三氟乙酰苯胺与各种有机锂试剂的反应以良好的收率得到相应的取代苯胺。