alpha,alpha-二甲基-3-(三氟甲基)苯乙胺 | 1645-09-6

• 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: alpha,alpha-二甲基-3-(三氟甲基)苯乙胺
• 英文名称: 2-(3-trifluoromethylphenyl)-1,1-dimethylethylamine
• 英文别名: 1,1-dimethyl-2-(3-trifluoromethyl-phenyl)-ethylamine；Phenethylamine, alpha,alpha-dimethyl-m-trifluoromethyl-；2-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine
• CAS: 1645-09-6
• 化学式: C₁₁H₁₄F₃N
• 分子量: 217.234
• InChiKey: CUEVAAQJHCRHJI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2921499090

反应信息

• 作为反应物：
  描述：

  5-benzyloxy-8-(2,2-dihydroxyacetyl)-4H-benzo[1,4]oxazin-3-one 、 alpha,alpha-二甲基-3-(三氟甲基)苯乙胺 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：

  N-[1,1-dimethyl-2-(3-trifluoromethyl-phenyl)-ethyl]-formamide 在 盐酸 、 乙醇 、 水 、 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 以22%的产率得到alpha,alpha-二甲基-3-(三氟甲基)苯乙胺
  参考文献：
  名称：

  Neue Benzoxazinonderivate als langwirksame Betamimetika zur Behandlung von Atemwegserkrankungen

  摘要：

  本发明涉及一般式1的化合物，其中残基R、R1、R2、R3和A可以具有在权利要求和说明中提及的含义，以及其制备方法和用途作为药物，特别是用于治疗炎症和阻塞性呼吸道疾病。

  公开号：

  EP1577306A1

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。
• Neue Benzoxazinonderivate als langwirksame Betamimetika zur Behandlung von Atemwegserkrankungen
  申请人：Boehringer Ingelheim Pharma GmbH & Co.KG

  公开号：EP1577306A1

  公开（公告）日：2005-09-21

  Die vorliegende Erfindung betrifft die Verbindungen der allgemeinen Formel 1 worin die Reste R, R1, R2, R3 und A die in den Ansprüchen und in der Beschreibung genannten Bedeutungen haben können, Verfahren zu deren Herstellung sowie deren Verwendung als Arzneimittel, insbesondere zur Behandlung von entzündlichen und obstruktiven Atemwegserkrankungen.

  本发明涉及一般式1的化合物，其中残基R、R1、R2、R3和A可以具有在权利要求和说明中提及的含义，以及其制备方法和用途作为药物，特别是用于治疗炎症和阻塞性呼吸道疾病。
• Novel long acting betamimetics for the treatment of respiratory diseases
  申请人：Bouyssou Thierry

  公开号：US20050209227A1

  公开（公告）日：2005-09-22

  The present invention relates to the compounds of general formula 1 wherein the groups R, R 1 , R 2 , R 3 and A may have the meanings given in the claims and specification, processes for preparing them and their use as medicaments, particularly for the treatment of inflammatory and obstructive respiratory complaints.

  本发明涉及一般式1的化合物，其中基团R、R1、R2、R3和A可能具有在权利要求书和说明书中给出的含义，以及制备它们的过程和它们作为药物的用途，特别是用于治疗炎症和阻塞性呼吸疾病。
• Long acting betamimetics for the treatment of respiratory diseases
  申请人：Boehringer Ingelheim International GmbH

  公开号：US07244728B2

  公开（公告）日：2007-07-17

  The present invention relates to the compounds of general formula 1 wherein the groups R, R1, R2, R3 and A may have the meanings given in the claims and specification, processes for preparing them and their use as medicaments, particularly for the treatment of inflammatory and obstructive respiratory complaints.

  本发明涉及通式1的化合物，其中基团R、R1、R2、R3和A可能具有在权利要求和说明书中给出的含义，制备它们的过程以及它们作为药物的用途，特别是用于治疗炎症和阻塞性呼吸疾病。
• Discovery of olodaterol, a novel inhaled β2-adrenoceptor agonist with a 24h bronchodilatory efficacy
  作者：Thierry Bouyssou、Christoph Hoenke、Klaus Rudolf、Philipp Lustenberger、Sabine Pestel、Peter Sieger、Ralf Lotz、Claudia Heine、Frank H. Büttner、Andreas Schnapp、Ingo Konetzki

  DOI：10.1016/j.bmcl.2009.12.087

  日期：2010.2

  Compound 4p was identified from a series of 6-hydroxy-4H-benzo[1,4]oxazin-3-ones as potent agonist of the human beta(2)-adrenoceptor with a high beta(1)/beta(2)-selectivity. A complete reversal of acetylcholine-induced bronchoconstriction which lasted over the whole study period of 5 h was demonstrated for 4p in a guinea pig in vivo model without any signs of cardiovascular effects up to 10-fold above the first dose reaching 100% bronchoprotection. The enantiomerically pure (R)-form of 4p exerted a bronchodilatory efficacy over 24 h in dogs and guinea pigs in the absence of systemic pharmacodynamic effects. Formoterol which was tested as comparator in the same in vivo models of acetylcholine-induced bronchoconstriction did not retain efficacy after 24 h. In summary, the preclinical pro. le of compound (R)-4p (olodaterol, also known as BI 1744 CL) suggests a potential for once-daily dosing in man accompanied with an improved safety pro. le. (C) 2010 Elsevier Ltd. All rights reserved.