1-[3-(3,4-亚甲基二氧基苯氧基)丙基]-4-苯基哌嗪马来酸盐 | 82900-57-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 1-[3-(3,4-亚甲基二氧基苯氧基)丙基]-4-苯基哌嗪马来酸盐
• 英文名称: 1-(3-(benzo[d] [1,3]dioxol-5-yloxy)propyl)-4-phenylpiperazine
• 英文别名: 1-[3-(3,4-methylenedioxyphenoxy)propyl]-4-phenylpiperazine；LASSBio-670；BP554；1-benzo[d][1,3]dioxol-5-yloxy-3-(4-phenylhexahydro-1-pyrazinyl)propane；BP-554；1-[3-(1,3-Benzodioxol-5-yloxy)propyl]-4-phenylpiperazine
• CAS: 82900-57-0
• 化学式: C₂₀H₂₄N₂O₃
• 分子量: 340.422
• InChiKey: VUSNBQDZGKZEDL-UHFFFAOYSA-N

物化性质

• 沸点：
  496.9±45.0 °C(Predicted)
• 密度：
  1.188±0.06 g/cm3(Predicted)
• 溶解度：
  <45.65mg/ml，溶于 DMSO

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  34.2
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2934999090

反应信息

• 作为产物：
  描述：

  3-(1,3-苯并二恶茂-5-氧基)-1-丙醇 在 lithium carbonate 、 三乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 27.0h， 生成 1-[3-(3,4-亚甲基二氧基苯氧基)丙基]-4-苯基哌嗪马来酸盐
  参考文献：
  名称：

  Discovery of LASSBio-772, a 1,3-benzodioxole N-phenylpiperazine derivative with potent alpha 1A/D-Adrenergic receptor blocking properties

  摘要：

  We described herein the discovery of 1-(2-(benzo[d] [1,3]dioxol-6-yl)ethyl)-4-(2-methoxyphenyl) piperazine (LASSBio-772), as a novel potent and selective alpha 1A/1D adrenoceptor (AR) antagonist selected after screening of functionalized N-phenylpiperazine derivatives in phenylephrine-induced vasoconstriction of rabbit aorta rings. The affinity of LASSBio-772 for alpha 1A and alpha 1B AR subtypes was determined through displacement of [(3)H]prazosin binding. We obtained Ki values of 0.14 nM for the alpha 1A-AR, similar to that displayed by tamsulosin (K(i) = 0.13 nM) and 5.55 nM for the alpha 1B-AR, representing a 40-fold higher affinity for alpha 1A-AR. LASSBio-772 also presented high affinity (K(B) = 0.025 nM) for the alpha 1D-AR subtype in the functional rat aorta assay, showing to be equipotent to tamsulosin (K(B) = 0.017 nM). (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.04.032

文献信息

• Use of Adrenergic N-Phenylpiperazine Antagonists, Pahrmaceutical Compositions Containning Them, and Methods of Preparing Them
  申请人：Soares Romeiro Antonio Luiz

  公开号：US20070219213A1

  公开（公告）日：2007-09-20

  The present invention describes phenylpiperazinyl alpha adrenergic antagonists that corresponds to the formula (I) which selectively act on the alpha 1A/alpha 1D subtypes, where its selectivity index in comparison to alpha 1B subtype is, at minimum, 1700 for the alpha 1A subtype and 10000 for the alpha 1 D subtype, being therefore useful for the treatment of the lower urinary tract symptoms, including the benign prostatic hyperplasia treatment in mammals, preferentially humans. It is also described pharmaceutical compositions containing said compounds and methods for its preparation.

  本发明描述了与公式（I）相对应的苯基哌嗪基α肾上腺素受体拮抗剂，其选择性作用于α1A/α1D亚型，其中与α1B亚型相比的选择性指数，对于α1A亚型至少为1700，对于α1D亚型至少为10000，因此可用于治疗哺乳动物，尤其是人类的下尿路症状，包括良性前列腺增生的治疗。还描述了含有该化合物的药物组合物以及其制备方法。
• Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions
  申请人：Köster Hubert

  公开号：US20110118136A1

  公开（公告）日：2011-05-19

  Capture compounds and collections thereof and methods using the compounds for the analysis of biomolecules are provided. In particular, collections, compounds and methods are provided for analyzing complex protein mixtures, such as the proteome. The compounds are multifunctional reagents that provide for the separation and isolation of complex protein mixtures. Each compound has the formula: wherein: Z is a trityl derivative; X, the reactivity function, covalently binds to amino acid side chains of proteins; Y, the selectivity function, modulates binding of X to the amino acid side chains in proteins such that X binds to fewer proteins when Y is present than in its absence; and Q permits separation or immobilization of the capture compound. Automated systems for performing the methods also are provided.

  本文提供了捕获化合物和化合物集合以及使用这些化合物进行生物分子分析的方法。特别地，提供了用于分析复杂蛋白质混合物（如蛋白质组）的集合、化合物和方法。这些化合物是多功能试剂，可用于分离和分离复杂蛋白质混合物。每个化合物的公式为：其中：Z是三苯甲基衍生物；X是反应性功能，共价结合到蛋白质的氨基酸侧链上；Y是选择性功能，调节X与蛋白质中氨基酸侧链的结合，使得在Y存在时，X与较少的蛋白质结合，而在Y不存在时，X与更多的蛋白质结合；Q允许分离或固定捕获化合物。本文还提供了用于执行这些方法的自动化系统。
• Kits for classifying a subject having or at risk for developing idiopathic scoliosis
  申请人：Chu Sainte-Justine

  公开号：US10247737B2

  公开（公告）日：2019-04-02

  A method of classifying a subject having idiopathic scoliosis (IS) or at risk of developing IS comprising: determining the cellular response to Gi stimulation in a cell sample from the subject in the presence of OPN; determining the cellular response to Gi stimulation in a cell sample from the subject in the absence of OPN; and comparing the cellular response obtained in the presence of OPN with the cellular response obtained in the absence of OPN, whereby the comparing step enables the classification of the subject into one IS functional group. Also provided is the use of the foregoing method to classify borderline subjects and kits for applying the methods.

  一种对患有特发性脊柱侧弯症（IS）或有患 IS 风险的受试者进行分类的方法，包括：在存在 OPN 的情况下，确定受试者细胞样本中细胞对 Gi 刺激的反应；在不存在 OPN 的情况下，确定受试者细胞样本中细胞对 Gi 刺激的反应；以及将存在 OPN 时获得的细胞反应与不存在 OPN 时获得的细胞反应进行比较，其中比较步骤可将受试者分类为一个 IS 功能组。此外，还提供了使用前述方法对边缘受试者进行分类的方法和应用这些方法的试剂盒。
• Treatment of motor fluctuations
  申请人：——

  公开号：US20040067956A1

  公开（公告）日：2004-04-08

  The invention relates to the use of compounds that enhance 5-hydroxytryptamine 1a receptor activity, or activation (e.g. a selective 5-hydroxytryptamine 1a receptor agonists) for preventing or reducing motor fluctuations associated with dopamine replacement therapy.

  本发明涉及增强5-羟色胺1a受体活性或活化的化合物（如选择性5-羟色胺1a受体激动剂）在预防或减少与多巴胺替代疗法相关的运动波动方面的用途。
• Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of neoplasia
  申请人：Masferrer L. Jaime

  公开号：US20050085477A1

  公开（公告）日：2005-04-21

  The present invention provides compositions and methods for the treatment of neoplasia in a subject. More particularly, the invention provides a combination therapy for the treatment of a neoplasia comprising the administration to a subject of a serotonin modulating agent in combination with a cyclooxygenase-2 selective inhibitor.

  本发明提供了用于治疗受试者肿瘤的组合物和方法。更具体地说，本发明提供了一种治疗肿瘤的组合疗法，包括向受试者施用5-羟色胺调节剂与环氧化酶-2选择性抑制剂。