1-戊基-3-(2-甲基苯乙酰基)吲哚 | 864445-39-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: 1-戊基-3-(2-甲基苯乙酰基)吲哚
• 英文名称: JWH 251
• 英文别名: 2-(2-methylphenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone；JHW-251；1-Pentyl-3-(2-methylphenylacetyl)indole；2-(2-methylphenyl)-1-(1-pentylindol-3-yl)ethanone
• CAS: 864445-39-6
• 化学式: C₂₂H₂₅NO
• 分子量: 319.447
• InChiKey: YBIPNGRKUAVSBG-UHFFFAOYSA-N

物化性质

• 沸点：
  489.2±25.0 °C(Predicted)
• 密度：
  1.03±0.1 g/cm3(Predicted)
• 溶解度：
  DMF：5mg/mL； DMSO：2.5mg/mL；乙醇：20mg/mL
• 碰撞截面：
  183.93 Ų [M+H]+

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  22
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-戊基-1H-吲哚 、 邻甲基苯乙酰氯 在 二甲基氯化铝 作用下， 以 二氯甲烷 为溶剂， 生成 1-戊基-3-(2-甲基苯乙酰基)吲哚
  参考文献：
  名称：

  1-戊基-3-苯基乙酰吲哚，一类新的大麻模拟吲哚。

  摘要：

  制备了具有3-苯基乙酰基或取代的3-苯基乙酰基取代基的一类新的大麻模拟吲哚，并确定了它们对大麻素CB1和CB2受体的亲和力。通常，具有2-取代的苯基乙酰基的那些化合物对两个受体都具有良好的亲和力。4-取代的类似物对任一受体几乎没有亲和力，而3-取代的化合物在它们的亲和力中间。这些化合物中的两种-1-戊基-3-（2-甲基苯基乙酰基）吲哚（JWH-251）和1-戊基-3-（3-甲氧基苯基乙酰基）吲哚（JWH-302）对CB1受体具有5倍的选择性对CB2受体具有适度的亲和力 GTPγS测定表明，这两种化合物都是对CB1受体的高效激动剂和对CB2受体的部分激动剂。

  DOI：

  10.1016/j.bmcl.2005.06.008

文献信息

• Drug combination pharmaceutical compositions and methods for using them
  申请人：Bascomb Newell

  公开号：US20080033027A1

  公开（公告）日：2008-02-07

  The invention provides preparations, formulations, kits and other products of manufacture (e.g., blister packs) comprising combinations of beneficial ingredients that are serviceable as therapies for improving states and disease symptoms such as involving inflammation, excessive sympathoneural drive, cachexia, anorexia, and anorexia-cachexia, as well as stress or anxiety related thereto, and methods of making and using them. The invention provides compositions and therapies comprising use of a beta adrenergic antagonist (also called “beta blockers”, e.g., propranolol) in combination with an anti-inflammatory agent, e.g., a nonsteroidal anti-inflammatory drug (NSAID), an angiotensin-converting enzyme (ACE) inhibitor, an angiotensin receptor blocker (ARB), an anabolic steroid, a natural oil or fatty acid or any combination thereof.

  本发明提供了含有多种有益成分的制剂、配方、套装和其他制造产品（例如泡泡包装），这些组合可用作改善涉及炎症、过度交感神经驱动、消瘦、厌食和厌食-消瘦等状态和疾病症状的治疗，以及与之相关的压力或焦虑，以及制造和使用它们的方法。本发明提供了包括使用β肾上腺素受体拮抗剂（也称为“β受体阻滞剂”，例如普萘洛尔）与抗炎药物（例如非甾体抗炎药物（NSAID）、血管紧张素转化酶（ACE）抑制剂、血管紧张素受体拮抗剂（ARB）、合成类固醇、天然油脂或脂肪酸或其任意组合）的组合的组合物和治疗方法。
• COMPOSITIONS AND METHODS FOR AMELIORATING CACHEXIA
  申请人：Bascomb Newell

  公开号：US20090215852A1

  公开（公告）日：2009-08-27

  The invention provides preparations, formulations, kits and other products of manufacture (e.g., blister packs) comprising combinations of beneficial ingredients that are serviceable as therapies for improving states and disease symptoms such as involving inflammation, excessive sympathoneural drive, cachexia, anorexia, and anorexia-cachexia, as well as stress or anxiety related thereto, and methods of making and using them. The invention provides compositions and therapies comprising use of a beta adrenergic antagonist (also called “beta blockers”, e.g., propranolol) in combination with an anti-inflammatory agent, e.g., a nonsteroidal anti-inflammatory drug (NSAID), an angiotensin-converting enzyme (ACE) inhibitor, an angiotensin receptor blocker (ARB), an anabolic steroid, a natural oil or fatty acid or any combination thereof.

  本发明提供了制备、配方、套装和其他制造产品（例如泡腾包装），其中包括有益成分的组合，可作为改善涉及炎症、过度交感神经驱动、消瘦、厌食和厌食消瘦等状态和疾病症状的治疗方法，以及与之相关的压力或焦虑的治疗方法，以及制备和使用它们的方法。本发明提供了组合使用β肾上腺素受体拮抗剂（也称为“β受体阻滞剂”，例如普萘洛尔）和抗炎药物（例如非甾体抗炎药（NSAID）、血管紧张素转化酶（ACE）抑制剂、血管紧张素受体拮抗剂（ARB）、合成类固醇、天然油脂或脂肪酸或任何组合）的组合物和治疗方法。
• Combination of angiotension receptor blockers (ARB) and NSAIDs for use in ameliorating cachexia
  申请人：Vicus Therapeutics SPE 1, LLC

  公开号：EP2374508A1

  公开（公告）日：2011-10-12

  The invention provides a therapeutic combination for use in the treatment of cachexia or of a maladaptive nutritional state secondary to a chronic Systemic Inflammatory Response State (SIRS), wherein the combination comprises at least one member of a first group and at least one member of a second group; wherein members of the first group are selected from the group consisting of angiotensin receptor blockers (ARBs); and members of the second group are selected from the group consisting of non-steroidal anti-inflammatory drugs (NSAIDs).

  本发明提供了一种用于治疗恶病质或继发于慢性系统炎症反应状态（SIRS）的不适应营养状态的治疗组合，其中该组合包括第一组中的至少一个成员和第二组中的至少一个成员； 其中第一组的成员选自血管紧张素受体阻滞剂（ARB）组成的组；以及 第二组的成员选自由非甾体抗炎药（NSAIDs）组成的组。
• Combination of an ACE inhibitor and an NSAID for use in ameliorating cachexia/SIRS
  申请人：Vicus Therapeutics SPE 1, LLC

  公开号：EP2374458A1

  公开（公告）日：2011-10-12

  The invention provides a therapeutic combination for use in the treatment of cachexia or of a maladaptive nutritional state secondary to a chronic Systemic Inflammatory Response State (SIRS), wherein the combination comprises at least one member of a first group and at least one member of a second group; wherein members of the first group are selected from the group consisting of angiotensin-converting enzyme (ACE) inhibitors; and members of the second group are selected from the group consisting of non-steroidal anti-inflammatory drugs (NSAIDs).

  本发明提供了一种治疗组合物，用于治疗恶病质或继发于慢性系统炎症反应状态（SIRS）的不适应营养状态，其中该组合物包括第一组中的至少一个成员和第二组中的至少一个成员； 其中第一组的成员选自血管紧张素转换酶（ACE）抑制剂组成的组；以及 第二组的成员选自由非甾体抗炎药（NSAIDs）组成的组。
• NUCLEAR MAGNETIC RESONANCE IMPLEMENTED SYNTHETIC INDOLE AND INDAZOLE CANNABINOID DETECTION, IDENTIFICATION, AND QUANTIFICATION
  申请人：HOFSTRA UNIVERSITY

  公开号：US20160084779A1

  公开（公告）日：2016-03-24

  The present invention provides a method for detecting synthetic indole and indazole cannabinoids in a sample known or suspected to contain a synthetic indole or indazole cannabinoid. A deuterated solvent is added to the solid sample, creating a suspension. The suspension is mixed to release the cannabinoid from the solid sample. The suspension is subject to a NMR spectroscopy process to produce a sample NMR spectrum. The synthetic cannabinoid is detected in the suspension by analysis of the sample NMR spectrum. When one-dimensional proton NMR is used, detection of a first peak between 8.00 and 8.50 ppm and a second peak between 4.00 and 4.40 ppm, indicates the presence of a synthetic indole or indazole cannabinoid. When two-dimensional Correlation Spectroscopy (COSY) NMR is used, detection of a first spot between 6.50 and 9.00 ppm and a second spot between 1.50 and 4.50 ppm indicates the presence of a synthetic indole or indazole cannabinoid. The method is performed in the absence of chromatography and optionally, may be used to quantify the amount of synthetic cannabinoid.