2-(4-isopropyl-phenyl)-1,1-dimethyl-ethylamine | 100522-09-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-(4-isopropyl-phenyl)-1,1-dimethyl-ethylamine
• 英文别名: 2-(4-Isopropyl-phenyl)-1,1-dimethyl-aethylamin；2-Amino-1-(4-isopropyl-phenyl)-2-methyl-propan；1,1-dimethyl-2-(4-isopropylphenyl)ethylamine；2-methyl-1-(4-propan-2-ylphenyl)propan-2-amine
• CAS: 100522-09-6
• 化学式: C₁₃H₂₁N
• 分子量: 191.316
• InChiKey: CPNNQIURQAQQSU-UHFFFAOYSA-N

物化性质

• 沸点：
  272.9±9.0 °C(Predicted)
• 密度：
  0.915±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  5-benzyloxy-8-(2,2-dihydroxyacetyl)-4H-benzo[1,4]oxazin-3-one 、 2-(4-isopropyl-phenyl)-1,1-dimethyl-ethylamine 以 四氢呋喃 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  Use of 5-hydroxy-4H-benzo[1,4]oxazin-3-ones as β2-adrenoceptor agonists

  摘要：

  Novel beta(2)-agonists with a 5-hydroxy-4H-benzo[1,4]oxazin-3-one moiety as head group are described. Systematic chemical variations at the phenethylamine residue of these compounds lead to the discovery of compound 6m as potent, full agonist of the beta(2)-adrenoceptor with a high beta(1)/beta(2)-selectivity. Molecular modeling revealed an interaction between the carboxylic acid group of 6m and a lysine residue (K305) of the beta(2)-receptor as putative explanation for the high observed selectivity. Further, compound 6m displayed in a guinea pig in vivo model a complete reversal of acetylcholine induced bronchoconstriction which lasted over the complete study time of 5 h. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.013
• 作为产物：
  描述：

  4-异丙基苄氯 在 盐酸 、 次溴酸钾 、 sodium amide 作用下， 生成 2-(4-isopropyl-phenyl)-1,1-dimethyl-ethylamine
  参考文献：
  名称：

  α,α-Dimethyl-β-arylethylamines, and Their Behavior in the Bischler-Napieralski Reaction

  摘要：

  DOI：

  10.1021/jo01095a014

文献信息

• SULFONAMIDE COMPOUNDS AND THE USE
  申请人：OGAWA Masami

  公开号：US20100022601A1

  公开（公告）日：2010-01-28

  The sulfoneamide compounds having the following Formula (1), which can be used as an effective component of a CaSR antagonizing agent useful for prophylaxis and/or treatment of bone disorders including osteoporosis and etc., are provided. The compounds have an excellent activity of promoting PTH secretion. In addition, the compounds are useful as an effective component of a medicament for the prophylaxis and/or treatment of bone disorders such as osteoporosis, bone fracture, hypoparathyroidism and the like.

  提供以下式(1)的磺酰胺化合物，可用作预防或治疗包括骨质疏松症等骨疾病的CaSR拮抗剂的有效成分。这些化合物具有促进PTH分泌的卓越活性。此外，这些化合物还用作预防或治疗骨质疏松症、骨折、低甲状旁腺功能等骨疾病药物的有效成分。
• Aerosol formulation for the inhalation of beta-agonists
  申请人：Aven Michael

  公开号：US20050256115A1

  公开（公告）日：2005-11-17

  The present invention relates to a propellant-free aerosol formulation which [contains] one or more compounds of general formula 1 wherein the groups R 1 , R 2 , R 3 and X − may have the meanings given in the claims and specification, for inhalation.

  本发明涉及一种无推进剂的气雾剂配方，其中包含一个或多个一般式1中的化合物，其中基团R1、R2、R3和X−可能具有索赔和说明中给定的含义，用于吸入。
• Novel medicament combinations for the treatment of respiratory diseases
  申请人：Konetzki Ingo

  公开号：US20050239778A1

  公开（公告）日：2005-10-27

  The present invention relates to new medicament combinations which contain in addition to one or more, preferably one, compound of general formula 1 wherein the groups R 1 , R 2 and R 3 may have the meanings given in the claims and in the specification, at least one other active substance 2, processes for preparing them and their use as pharmaceutical compositions.

  本发明涉及一种新的药物组合物，除了含有一个或多个通常为一个的一般式1中的化合物，其中基团R1、R2和R3可能具有申请中所给出的含义和说明中的含义，还含有至少一种其他活性物质2，以及制备它们的方法和它们作为药用组合物的用途。
• Novel medicaments for the treatment of respiratory diseases
  申请人：Konetzki Ingo

  公开号：US20050272726A1

  公开（公告）日：2005-12-08

  The present invention relates to the use of the compounds of general formula 1 wherein the groups R 1 , R 2 and R 3 may have the meanings given in the claims and in the specification, for preparing a pharmaceutical composition for the treatment of respiratory complaints.

  本发明涉及使用一般式1中的化合物，其中基团R1、R2和R3可能具有权利要求和说明书中给定的含义，用于制备用于治疗呼吸道疾病的药物组合物。
• Method of using calcilytic compounds
  申请人：NPS Pharmaceuticals, Inc.

  公开号：US06022894A1

  公开（公告）日：2000-02-08

  The present invention features calcilytic compounds. "Calcilytic compounds" refer to compounds able to inhibit calcium receptor activity. Also described are the use of calcilytic compounds to inhibit calcium receptor activity and/or achieve a beneficial effect in a patient; and techniques which can be used to obtain additional calcilytic compounds.

  本发明涉及钙受体拮抗剂化合物。"钙受体拮抗剂化合物"指的是能够抑制钙受体活性的化合物。还描述了利用钙受体拮抗剂化合物来抑制钙受体活性和/或在患者中达到有益效果的方法；以及可用于获取额外钙受体拮抗剂化合物的技术。