N-(4-(二甲基氨基)苄基)-4-异丙基苯胺 | 400858-39-1

• 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-(4-(二甲基氨基)苄基)-4-异丙基苯胺
• 中文别名: [(4-(二甲基氨基)苯基)甲基](4-异丙基苯基)胺
• 英文名称: 4-(((4-isopropylphenyl)amino)methyl)-N,N-dimethylaniline
• 英文别名: [(4-dimethylaminophenyl)methyl](4-isopropylphenyl)amine；(4-isopropylphenyl)-(4'-dimethylaminobenzyl)amine；N-[4-(dimethylamino)benzyl]-4-isopropylaniline；N-(4-(Dimethylamino)benzyl)-4-isopropylbenzenamine；N,N-dimethyl-4-[(4-propan-2-ylanilino)methyl]aniline
• CAS: 400858-39-1
• 化学式: C₁₈H₂₄N₂
• 分子量: 268.402
• InChiKey: HRQJDEOSZHNOEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(4-(二甲基氨基)苄基)-4-异丙基苯胺 生成 8-benzyloxy-N-[(4-dimethylaminophenyl)methyl)-N-(4-isopropylphenyl)chroman-4-carboxamide
  参考文献：
  名称：

  NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF

  摘要：

  公开号：

  EP1318140B9
• 作为产物：
  描述：

  4-异丙基苯胺 在 sodium tetrahydroborate 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 2.0h， 生成 N-(4-(二甲基氨基)苄基)-4-异丙基苯胺
  参考文献：
  名称：

  C5a受体拮抗剂W-54011的合成方法

  摘要：

  本发明公开了C5a受体拮抗剂W‑54011的合成方法。本发明通过Wittig反应、去甲基化、烯醇互变、氧化等步骤得到7‑甲氧基‑1，2，3，4‑四氢化萘‑1‑羧酸；接着以4‑异丙基苯胺和4‑(二甲基胺基)苯甲醛为原料经过还原胺化反应得到4‑(((4‑异丙基苯基)胺基)甲基)‑N，N‑二甲基苯胺；最后，将7‑甲氧基‑1，2，3，4‑四氢化萘‑1‑羧酸转化成酰氯，接着与4‑(((4‑异丙基苯基)胺基)甲基)‑N，N‑二甲基苯胺反应得到N‑(4‑(二甲基氨基)苄基)‑N‑(4‑异丙基苯基)‑7‑甲氧基‑1，2，3，4‑四氢化萘‑1‑甲酰胺，即得到C5a受体拮抗剂W‑54011。本发明以廉价易得的7‑甲氧基‑1‑萘满酮作为起始原料，经过六步反应，顺利合成了C5a受体拮抗剂W‑54011，该方法操作简便，反应条件温和，成本较低、原料廉价易得，适合规模化生产。

  公开号：

  CN109438272A

文献信息

• Novel 3-substituted urea derivatives and medicinal use thereof
  申请人：——

  公开号：US20030207939A1

  公开（公告）日：2003-11-06

  The present invention relates to a urea derivative of the formula (1) 1 wherein each symbol is as described in the specification, a pharmaceutically acceptable salt thereof and pharmaceutical use thereof. The compound of the present invention has a C5a receptor antagonistic action and is useful as an agent for the prophylaxis or treatment of diseases or syndromes due to inflammation caused by C5a [e.g., autoimmune diseases such as rheumatism, systemic lupus erythematosus and the like, sepsis, adult respiratory distress syndrome, chronic obstructive pulmonary disease, allergic diseases such as asthma and the like, atherosclerosis, cardiac infarction, brain infarction, psoriasis, Alzheimer's disease and serious organ injury (e.g., pneumonia, nephritis, hepatitis, pancreatitis and the like) due to activation of leukocytes caused by ischemia, trauma, burn, surgical invasion and the like]. In addition, it is useful as an agent for the prophylaxis or treatment of infectious diseases caused by bacteria or virus that invades via a C5a receptor.

  本发明涉及一种化学式(1)1的尿素衍生物，其中每个符号如规范中所述，以及其药用可接受盐和药用。本发明的化合物具有C5a受体拮抗作用，可用作预防或治疗由C5a引起的炎症所致疾病或综合症的药剂[例如，自身免疫疾病如风湿病、系统性红斑狼疮等、败血症、成人呼吸窘迫综合征、慢性阻塞性肺疾病、哮喘等过敏性疾病、动脉粥样硬化、心肌梗死、脑梗死、牛皮癣、阿尔茨海默病和严重器官损伤(例如，由缺血、创伤、烧伤、手术侵袭等引起的白细胞活化引起的肺炎、肾炎、肝炎、胰腺炎等)。此外，它还可用作预防或治疗由细菌或病毒通过C5a受体侵入引起的传染病的药剂。
• [EN] SUBSTITUTED BIARYL AMIDES AS C5A RECEPTOR MODULATORS<br/>[FR] BIARYLAMIDES SUBSTITUES EN TANT QUE MODULATEURS DU RECEPTEUR C5A
  申请人：NEUROGEN CORP

  公开号：WO2003082826A1

  公开（公告）日：2003-10-09

  Substituted biaryl amides of Formula I are provided. Such compounds are ligands that may be used to modulate C5a receptor activity in vivo or in vitro, and are particularly useful in the treatment of conditions associated with pathological C5a receptor activation in humans, domesticated companion animals and livestock animals. Pharmaceutical compositions and methods for using them to treat such disorders are provided, as are methods for using such ligands for receptor localization studies.

  提供了公式I的取代联苯酰胺。这些化合物是配体，可用于调节体内或体外的C5a受体活性，并且在治疗与人类、驯养伴侣动物和家畜动物中的C5a受体病理激活相关的疾病方面特别有用。提供了用于治疗此类疾病的药物组合物和使用它们的方法，以及用于受体定位研究的这类配体的方法。
• Pyridine analogs as C5a antagonists
  申请人：Lachance Nicolas

  公开号：US20050277644A1

  公开（公告）日：2005-12-15

  The present invention provides novel compounds of Formula I which are antagonists of the C5a receptor. Compounds of the present invention are useful for the treatment of various C5a-mediated diseases and disorders; accordingly the present invention provides a method for the treatment of C5a-mediated diseases using the novel compounds described herein, as well as pharmaceutical compositions containing them.

  本发明提供了化合物I的新型化合物，这些化合物是C5a受体的拮抗剂。本发明的化合物对于治疗各种C5a介导的疾病和疾病非常有用；因此，本发明提供了一种使用本文所描述的新型化合物治疗C5a介导疾病的方法，以及含有这些化合物的药物组合物。
• Substituted biaryl amides as C5A receptor modulators
  申请人：Gao Yang

  公开号：US20050096358A1

  公开（公告）日：2005-05-05

  Substituted biaryl amides of Formula I are provided. Such compounds are ligands that may be used to modulate C5a receptor activity in vivo or in vitro, and are particularly useful in the treatment of conditions associated with pathological C5a receptor activation in humans, domesticated companion animals and livestock animals. Pharmaceutical compositions and methods for using them to treat such disorders are provided, as are methods for using such ligands for receptor localization studies.

  提供了式I的取代联芳酰胺化合物。这些化合物是配体，可用于在体内或体外调节C5a受体活性，并且在治疗与人类、家畜伴侣动物和家畜动物中的C5a受体病理性激活相关的情况中特别有用。提供了用于治疗此类疾病的制药组合物和方法，以及用于受体定位研究的这种配体的使用方法。
• Novel amide derivatives and medicinal use thereof ugs
  申请人：——

  公开号：US20040138223A1

  公开（公告）日：2004-07-15

  The present invention relates to an amide derivative of the formula (1), having a C5a receptor antagonistic action 1 wherein each symbol is as defined in the specification. The above-mentioned amide derivative, an optically active form thereof and a pharmaceutically acceptable salt thereof are promising as an agent for the treatment or prophylaxis of diseases or syndromes caused by inflammation caused by C5a [e.g., autoimmune diseases such as rheumatism, systemic lupus erythematosus and the like, sepsis, adult respiratory distress syndrome, chronic obstructive pulmonary disease, allergic diseases such as asthma and the like, atherosclerosis, cardiac infarction, brain infarction, psoriasis, Alzheimer's disease and serious organ injury (e.g., pneumonia, nephritis, hepatitis and pancreatitis and the like) due to activation of leukocytes caused by ischemia reperfusion, trauma, burn, surgical invasion and the like]. Moreover, they are useful as a therapeutic or prophylactic agent for the infectious diseases caused by bacteria and virus that invade via a C5a receptor.

  本发明涉及一种式（1）的酰胺衍生物，具有C5a受体拮抗作用，其中每个符号如规范中所定义。上述酰胺衍生物及其光学活性形式和药学上可接受的盐被认为是治疗或预防因C5a引起的炎症引起的疾病或综合症的药物，如自身免疫性疾病，如风湿病，系统性红斑狼疮等，败血症，成人呼吸窘迫综合症，慢性阻塞性肺疾病，哮喘等过敏性疾病，动脉粥样硬化，心脏梗死，脑梗死，牛皮癣，老年痴呆症和严重器官损伤（如肺炎，肾炎，肝炎，胰腺炎等）由于缺血再灌注，创伤，烧伤，手术入侵等引起的白细胞激活。此外，它们对通过C5a受体侵入的细菌和病毒引起的传染病也有用作治疗或预防剂。