2-(2-isopropyl-6-methoxyphenoxy)acetic acid | 177990-70-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(2-isopropyl-6-methoxyphenoxy)acetic acid
• 英文别名: 2-methoxy-6-isopropylphenoxyacetic acid；2-(2-methoxy-6-propan-2-ylphenoxy)acetic acid
• CAS: 177990-70-4
• 化学式: C₁₂H₁₆O₄
• 分子量: 224.257
• InChiKey: XRPMAUGGZJVUNQ-UHFFFAOYSA-N

物化性质

• 沸点：
  345.6±37.0 °C(Predicted)
• 密度：
  1.128±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(2-isopropyl-6-methoxyphenoxy)acetic acid 生成 2-(2-isopropyl-6-methoxyphenoxy)ethanoyl chloride
  参考文献：
  名称：

  Quinazolinyl-amino derivatives having .alpha.-antagonist activity

  摘要：

  本文描述了新的喹唑啉基氨基衍生物，可用作α1-肾上腺素受体阻滞剂。这些化合物可用作治疗与α-肾上腺素能系统过度活跃相关的疾病和疾病的治疗剂，例如动脉高血压、前列腺良性增生、高眼压和高胆固醇血症。本文还描述了制备上述化合物的方法。

  公开号：

  US05798362A1
• 作为产物：
  描述：

  2-异丙基-6-甲氧基苯酚 、 溴乙酸乙酯 以72的产率得到2-(2-isopropyl-6-methoxyphenoxy)acetic acid
  参考文献：
  名称：

  Quinazolinyl-amino derivatives having .alpha.-antagonist activity

  摘要：

  本文描述了新的喹唑啉基氨基衍生物，可用作α1-肾上腺素受体阻滞剂。这些化合物可用作治疗与α-肾上腺素能系统过度活跃相关的疾病和疾病的治疗剂，例如动脉高血压、前列腺良性增生、高眼压和高胆固醇血症。本文还描述了制备上述化合物的方法。

  公开号：

  US05798362A1

文献信息

• [EN] QUINAZOLINYL-AMINO DERIVATIVES HAVING alpha -ANTAGONIST ACTIVITY<br/>[FR] DERIVES QUINAZOLINYL-AMINO POSSEDANT UNE ACTIVITE CONTRE LES ADRENORECEPTEURS alpha
  申请人：RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY

  公开号：WO1995025726A1

  公开（公告）日：1995-09-28

  (EN) New quinazolinyl-amino derivatives useful as $g(a)1-adrenoreceptors blockers are described. These compounds can be used as therapeutical agents for treating affections and diseases related with the hyperactivity of the $g(a)-adrenergic system, as, for example, arterial hypertension, prostate benign hyperplasia (BHP), high intraocular pressure and hypercholesterolemia. Processes for the preparation of the above said compounds are also described.(FR) L'invention se rapporte à de nouveaux dérivés quinazolinyl-amino utiles en tant qu'agents de blocage des adrénorécepteurs $g(a)1. On peut utiliser ces composés en tant qu'agents thérapeutiques dans le traitement des affections et maladies associées à l'hyperactivité du système $g(a)-adrénergique, comme par exemple l'hypertension artérielle, l'adénome prostatique (BHP), la tension intra-oculaire élevée et l'hypercholestérolémie. L'invention concerne également des procédés de préparation de ces composés.

  (EN) 描述了新的喹唑啉基-氨基衍生物，可用作$g(a)1-肾上腺素受体阻滞剂。这些化合物可用作治疗与$g(a)-肾上腺素能系统的高活性相关的疾病和症状的治疗剂，例如动脉高血压、前列腺良性增生症（BHP）、高眼压和高胆固醇血症。还描述了制备上述化合物的方法。 (FR) 描述了新的喹唑啉基-氨基衍生物，可用作$g(a)1-肾上腺素受体阻滞剂。这些化合物可用作治疗与$g(a)-肾上腺素能系统的高活性相关的疾病和症状的治疗剂，例如动脉高血压、前列腺良性增生症（BHP）、高眼压和高胆固醇血症。还描述了制备上述化合物的方法。
• Use of selective antagonists of the alpha1b-adrenergic receptor for improvement of sexual dysfunction
  申请人：Recordati S.A.

  公开号：US20020161009A1

  公开（公告）日：2002-10-31

  Described is the use in the treatment of either male or female sexual dysfunction of selective antagonists of the &agr; 1B -adrenergic receptor and the pharmaceutical compositions containing them as compounds capable of helping the sexual act avoiding at the same time excessive side effects due to acute hypotension.

  本文描述了选择性&agr;1B-肾上腺素受体拮抗剂的使用，以治疗男性或女性性功能障碍，并包含它们的药物组合物作为有助于性行为的化合物，同时避免由于急性低血压而引起的过度副作用。
• Use of selective antagonists of the α1B-adrenergic receptor for improvement of sexual dysfunction
  申请人：Leonardi Amedeo

  公开号：US06953800B2

  公开（公告）日：2005-10-11

  Described is the use in the treatment of either male or female sexual dysfunction of selective antagonists of the α 1B -adrenergic receptor and the pharmaceutical compositions containing them as compounds capable of helping the sexual act avoiding at the same time excessive side effects due to acute hypotension.

  本发明描述了使用选择性α1B-肾上腺素能受体拮抗剂及含有它们的制药组合物来治疗男性或女性性功能障碍，这些化合物有助于性行为的进行，同时避免由急性低血压引起的过度副作用。
• Synthesis, Pharmacological Evaluation, and Structure−Activity Relationship and Quantitative Structure−Activity Relationship Studies on Novel Derivatives of 2,4-Diamino-6,7-dimethoxyquinazoline α₁-Adrenoceptor Antagonists
  作者：Amedeo Leonardi、Gianni Motta、Carlo Boi、Rodolfo Testa、Elena Poggesi、Pier G. De Benedetti、M. Cristina Menziani

  DOI：10.1021/jm9805337

  日期：1999.2.1

  A new series of novel piperazine and non-piperazine derivatives of 2,4-diamino-6,7-dimethoxyquinazoline was synthesized and evaluated for binding affinity toward alpha(1)-adrenergic and other G-protein-coupled aminergic receptors. The alpha(1)-adrenoceptor (AR) subtype selectivity was also investigated for the most interesting compounds. Only compound 16 showed moderate selectivity toward the alpha(1b)-AR subtype. Selected compounds were tested in vivo in a dog model indicating activity on blood pressure and on the lower urinary tract. Compound 10 showed in vivo potency close to that of prazosin. Powerful interpretative and predictive theoretical QSAR models have been obtained. The theoretical descriptors employed in the rationalization of the alpha(1)-adrenergic binding affinity depict the key features for receptor binding which can be summarized in an electrostatic interaction between the protonated amine function and a primary nucleophilic site of the receptor, complemented by short-range attractive (polar and dispersive) and repulsive (steric) intermolecular interactions. Moreover, on predictive grounds, the ad hoc derived size and shape QSAR model developed in a previous paper (Rastelli, G.; et al. J. Mol. Struct. 1991, 251, 307-318) proved to be successful in predicting nanomolar alpha(1)-adrenergic binding affinity for compound 28.
• USE OF SELECTIVE ANTAGONISTS OF THE ALPHA 1b-ADRENERGIC RECEPTOR FOR IMPROVEMENT OF SEXUAL DYSFUNCTION
  申请人：RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a.

  公开号：EP1177190B1

  公开（公告）日：2005-11-02