N,N-二乙基-2-(4-甲氧基-3-苯乙基氧基苯基)乙胺盐酸盐 | 149409-57-4

• 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,N-二乙基-2-(4-甲氧基-3-苯乙基氧基苯基)乙胺盐酸盐
• 英文名称: N,N-di-n-propyl-2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethylamine hydrochloride
• 英文别名: NE 100；N,N-dipropyl-2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethylamine monohydrochloride；4-methoxy-3-(2-phenylethoxy)-N,N-dipropyl-benzeneethanamine hydrochloride；4-Methoxy-3-(2-phenylethoxy)-N,N-dipropylbenzeneethanamine hydrochloride；N-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;hydrochloride
• CAS: 149409-57-4
• 化学式: C₂₃H₃₃NO₂*ClH
• 分子量: 391.981
• InChiKey: ZHGMDXSHODHWHV-UHFFFAOYSA-N

物化性质

• 熔点：
  94-96°C
• 溶解度：
  H2O：可溶15mg/mL，澄清

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  27
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  21.7
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Sigma ligands for use in the prevention and/or treatment of postoperative pain
  申请人：Laboratorios del. Dr. Esteve, S.A.

  公开号：EP2353598A1

  公开（公告）日：2011-08-10

  The invention refers to the use of a sigma ligand, particularly a sigma ligand of formulae (I), (II) or (III) to prevent and/or treat acute and chronic pain developed as a consequence of surgery, especially superficial and/or deep pain secondary to surgical tissue injury, and peripheral neuropathic pain, neuralgia, allodynia, causalgia, hyperalgesia, hyperesthesia, hyperpathia, neuritis or neuropathy secondary to surgical procedure.

  本发明涉及使用sigma配体，特别是公式（I），（II）或（III）的sigma配体，以预防和/或治疗由手术引起的急性和慢性疼痛，特别是手术组织损伤引起的表浅和/或深层疼痛，以及周围神经病理性疼痛，神经痛，触痛，烧伤性痛，痛觉过敏，疼痛过敏，神经炎或手术过程引起的神经病变。
• [EN] USE OF SIGMA RECEPTOR LIGANDS FOR THE PREVENTION AND TREATMENT OF PAIN ASSOCIATED TO INTERSTITIAL CYSTITIS/BLADDER PAIN SYNDROME (IC/BPS)<br/>[FR] UTILISATION DES LIGANDS DES RÉCEPTEURS SIGMA POUR PRÉVENIR ET TRAITER LA DOULEUR ASSOCIÉE À LA CYSTITE INTERSTITIELLE/AU SYNDROME DE LA VESSIE DOULOUREUSE (IC/BPS).
  申请人：ESTEVE LABOR DR

  公开号：WO2014207024A1

  公开（公告）日：2014-12-31

  The invention refers to the use of a sigma ligand, particularly a sigma ligand of formula (I) to prevent and/or treat pain associated to interstitial cystitis/bladder pain syndrome (IC/BPS).

  该发明涉及使用sigma配体，特别是公式(I)的sigma配体，以预防和/或治疗与间质性膀胱炎/膀胱疼痛综合征（IC / BPS）相关的疼痛。
• Use of sigma receptor ligands for the prevention and treatment of pain associated to interstitial cystitis/bladder pain syndrome (IC/BPS)
  申请人：Laboratorios del Dr. Esteve S.A.

  公开号：EP2818166A1

  公开（公告）日：2014-12-31

  The invention refers to the use of a sigma ligand, particularly a sigma ligand of formula (I) to prevent and/or treat pain associated to interstitial cystitis/bladder pain syndrome (IC/BPS).

  该发明涉及使用sigma配体，特别是配体（I）的sigma配体，以预防和/或治疗与间质性膀胱炎/膀胱疼痛综合症（IC/BPS）相关的疼痛。
• ALKOXYPHENYLALKYLAMINE DERIVATIVE
  申请人：TAISHO PHARMACEUTICAL CO. LTD

  公开号：EP0641766A1

  公开（公告）日：1995-03-08

  An alkoxyphenylalkylamine derivative represented by general formula (I) and a salt thereof, wherein X¹ and X² may be the same or different from each other and each represents hydrogen, halogen, hydroxyl, or C₁ to C₅ alkoxy which may be substituted by phenyl; R¹ and R² may be the same or different from each other and each represents hydrogen or C₁ to C₇ alkyl which may be terminated with hydroxyl, carboxyl or alkoxycarbonyl, or alternatively R¹ and R² are combined with the adjacent nitrogen atoms to represent optionally substituted pyrrolidine, piperidino, piperazino, etc.; A represents phenyl which may be substituted by one to three arbitrary substituents selected among halogen, hydroxyl and C₁ to C₅ alkoxy, or similarly substituted thienyl; m represents an integer of 2 to 5; and n represents an integer of 1 to 7. The above compounds are useful in treating schizophrenia without causing extrapyramidal disorder and in treating problematic behaviours accompanying cerebrovascular disorder or senile dementia.

  通式(I)代表的烷氧基苯烷基胺衍生物及其盐，其中 X¹ 和 X² 可以相同或不同，各自代表氢、卤素、羟基或可被苯基取代的 C₁ 至 C₅ 烷氧基；R¹ 和 R² 可以相同或互不相同，各自代表氢或 C₁ 至 C₇ 烷基，可以用羟基、羧基或烷氧基羰基封端，或者 R¹ 和 R² 与相邻的氮原子结合代表任选取代的吡咯烷、哌啶基、哌嗪基等。A 代表苯基，可被选自卤素、羟基和 C₁ 至 C₅ 烷氧基或类似取代的噻吩基中的一至三个任意取代基取代；m 代表 2 至 5 的整数；n 代表 1 至 7 的整数。上述化合物可用于治疗精神分裂症，但不会引起锥体外系障碍，也可用于治疗伴随脑血管障碍或老年痴呆症的问题行为。
• COMPOSITION FOR REMEDYING DRUG DEPENDENCE
  申请人：TAISHO PHARMACEUTICAL CO. LTD

  公开号：EP0717990A1

  公开（公告）日：1996-06-26

  Provision of a drug for curing drug dependence which is less toxic and highly effective. A therapeutic composition for drug dependence which comprises as an active ingredient a phenylalkylamine derivative represented by the formula: (wherein X¹ is a halogen atom, a hydroxyl group or an alkoxy group having 1 to 5 carbon atoms, X² is a hydrogen atom, a halogen atom or an alkoxy group having 1 to 5 carbon atoms, each of R¹ and R² is an alkyl group having 1 to 7 carbon atoms, R³ is a phenyl group or a substituted phenyl group having as the substituent a halogen atom, a hydroxyl group or an alkoxy group having 1 to 5 carbon atoms, and each of m and n is an integer of 2 to 5) or a pharmaceutically acceptable salt thereof.

  提供一种毒性低、疗效高的治疗药物。 一种治疗药物依赖性的组合物，其有效成分包括由式表示的苯基烷基胺衍生物： (其中X¹为卤素原子、羟基或具有1至5个碳原子的烷氧基，X²为氢原子、卤素原子或具有1至5个碳原子的烷氧基，R¹和R²各自为具有1至7个碳原子的烷基，R³为苯基或取代苯基，其取代基为卤素原子、羟基或具有1至5个碳原子的烷氧基，m和n各自为2至5的整数）或其药学上可接受的盐。