氯倍他胺 | 97-27-8

• 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: 氯倍他胺
• 英文名称: chlorbetamide
• 英文别名: dichloro-acetic acid-[(2,4-dichloro-benzyl)-(2-hydroxy-ethyl)-amide]；Dichlor-essigsaeure-[(2,4-dichlor-benzyl)-(2-hydroxy-aethyl)-amid]；Chlorbetamid；dianil；2,2-dichloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)acetamide
• CAS: 97-27-8
• 化学式: C₁₁H₁₁Cl₄NO₂
• 分子量: 331.026
• InChiKey: STLZCUYBVPNYED-UHFFFAOYSA-N

物化性质

• 熔点：
  112.4-113.4°

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  氯倍他胺 在 1,4-二氧六环 、 盐酸 作用下， 生成 dichloro-acetic acid-[2-(2,4-dichloro-benzylamino)-ethyl ester]; hydrochloride
  参考文献：
  名称：

  New Amebacides. III.¹ The Preparation of Some N-Benzyl-N-(2-acyloxyethyl)-dichloroacetamides

  摘要：

  DOI：

  10.1021/ja01625a062

文献信息

• Hydroxylated nebivolol metabolites
  申请人：O'Donnell P. John

  公开号：US20070014733A1

  公开（公告）日：2007-01-18

  Hydroxylated nebivolol metabolites increase NO release from human endothelial cell preparations in a concentration dependent fashion following acute administration. In addition, hydroxylated nebivolol metabolites, including but not limited to 4-hydroxy-6,6′difluoro-, 4-hydroxy-5-phenol-6,6′difluoro-, and 4-hydroxy-8-pheno-6,6′difluoro-, have the ability to increase the capacity for NO release in human endothelial cells following chronic administration. This invention provides hydroxylated nebivolol metabolites and compositions comprising nebivolol and/or at least one hydroxylated metabolite of nebivolol and/or at least one additional compound used to treat cardiovascular diseases or a pharmaceutically acceptable salt thereof. In addition, this invention provides methods of treating and/or preventing vascular diseases by administering at least one hydroxylated metabolite of nebivolol that is capable of releasing a therapeutically effective amount of nitric oxide to a targeted site affected by the vascular disease. Also, this invention is directed to the treatment and/or prevention of migraine headaches administering at least one hydroxylated metabolite of nebivolol. This invention may also be used in conjunction with or as a single treatment of metabolic syndrome disorders.

  羟基化奈必洛尔代谢物在急性给药后以浓度依赖性方式增加人内皮细胞制剂的一氧化氮释放。此外，羟基化奈必洛尔代谢物，包括但不限于4-羟基-6,6'-二氟代-、4-羟基-5-苯酚-6,6'-二氟代-和4-羟基-8-苯并-6,6'-二氟代-，在慢性给药后能够增加人内皮细胞的一氧化氮释放能力。本发明提供了羟基化奈必洛尔代谢物和包含奈必洛尔和/或至少一种羟基化奈必洛尔代谢物和/或至少一种用于治疗心血管疾病的附加化合物的组合物，以及可药用的盐。此外，本发明还提供了通过给药至少一种能够释放治疗有效量的一氧化氮到受血管疾病影响的靶向部位的羟基化奈必洛尔代谢物来治疗和/或预防血管疾病的方法。本发明还涉及通过给药至少一种羟基化奈必洛尔代谢物来治疗和/或预防偏头痛。本发明还可以与治疗代谢综合征障碍的其他治疗联合使用，或作为单一治疗。
• Nitric Oxide Releasing Prodrugs of Therapeutic Agents
  申请人：SATYAM Apparao

  公开号：US20110263526A1

  公开（公告）日：2011-10-27

  The present invention relates to nitric oxide releasing prodrugs of known drugs or therapeutic agents which are represented herein as compounds of formula (I) wherein the drugs or therapeutic agents contain one or more functional groups independently selected from a carboxylic acid, an amino, a hydroxyl and a sulfhydryl group. The invention also relates to processes for the preparation of the nitric oxide releasing prodrugs (the compounds of formula (I)), to pharmaceutical compositions containing them and to methods of using the prodrugs.

  本发明涉及已知药物或治疗剂的一氧化氮释放前药，其在此处表示为式(I)的化合物，其中药物或治疗剂包含一个或多个功能基团，独立地选自羧酸、氨基、羟基和巯基。该发明还涉及制备一氧化氮释放前药（式(I)的化合物）的方法，含有它们的药物组合物以及使用这些前药的方法。
• Glucuronidated nebivolol metabolites
  申请人：O'Donnell P. John

  公开号：US20070014734A1

  公开（公告）日：2007-01-18

  This invention provides glucuronidated nebivolol metabolites and pharmaceutical compositions of glucuronidated nebivolol metabolites for treatment of cardiovascular diseases. In addition, this invention also provides compositions comprising nebivolol and/or at least one glucuronidated metabolite of nebivolol and/or at least one other active compound in a pharmaceutically acceptable carrier. This invention also provides methods of treating and/or preventing vascular diseases, by administering at least one glucuronidated metabolite of nebivolol that is capable of releasing a therapeutically effective amount of nitric oxide to a targeted site affected by the vascular disease. Also, this invention is directed to the treatment and/or prevention of migraine headaches administering at least one glucuronidated metabolite of nebivolol. This invention may also be used in conjunction with or as a single treatment of metabolic syndrome disorders.

  这项发明提供了葡萄糖醛酸化的尼布ivolol代谢物以及用于治疗心血管疾病的葡萄糖醛酸化的尼布ivolol代谢物的制药组合物。此外，该发明还提供了包含尼布ivolol和/或至少一种尼布ivolol的葡萄糖醛酸化代谢物和/或至少一种其他活性化合物的药用可接受载体的组合物。该发明还提供了通过向受影响血管疾病的靶位点投与至少一种能释放治疗有效量一氧化氮的尼布ivolol的葡萄糖醛酸化代谢物来治疗和/或预防血管疾病的方法。此外，该发明旨在通过投与至少一种尼布ivolol的葡萄糖醛酸化代谢物来治疗和/或预防偏头痛。该发明还可与代谢综合征紊乱的单一治疗或联合治疗一起使用。
• Fluorescent labeling reagents
  申请人：Daiichi Pure Chemicals Co., Ltd.

  公开号：US06403625B1

  公开（公告）日：2002-06-11

  Compounds represented by the following formula (I),: wherein R represents a lower alkyl group which may be substituted; n represents an integer of from 1 to 10; and X represents an anion species. The compounds are useful as active ingredients of fluorescent labeling agents or medicaments for diagnosis.

  以下公式（I）所代表的化合物：其中R代表可以被取代的低碳烷基基团；n代表从1到10的整数；X代表阴离子物种。这些化合物可用作荧光标记试剂或诊断药物的活性成分。
• A Novel <i>N</i>-Methyl-d-aspartate Receptor Open Channel Blocker with in Vivo Neuroprotectant Activity
  作者：Rosa Planells-Cases、Carmina Montoliu、Marc Humet、Asia M. Fernández、Carolina Garcı́a-Martı́nez、Elvira Valera、Jaime M. Merino、Enrique Pérez-Payá、Angel Messeguer、Vicente Felipo、Antonio Ferrer-Montiel

  DOI：10.1124/jpet.302.1.163

  日期：2002.7.1

  Excitotoxicity has been implicated in the etiology of ischemic stroke, chronic neurodegenerative disorders, and very recently, in glioma growth. Thus, the development of novel neuroprotectant molecules that reduce excitotoxic brain damage is vigorously pursued. We have used an ionic current block-based cellular assay to screen a synthetic combinatorial library of trimers of N -alkylglycines on the N -methyl-d-aspartate (NMDA) receptor, a well known molecular target involved in excitotoxicity. We report the identification of a family of N -alkylglycines that selectively blocked the NMDA receptor. Notably, compound 3,3-diphenylpropyl- N -glycinamide (referred to as N20C) inhibited NMDA receptor channel activity with micromolar affinity, fast on-off blockade kinetics, and strong voltage dependence. Molecule N20C did not act as a competitive glutamate or glycine antagonist. In contrast, saturation of the blocker binding site with N20C prevented dizolcipine (MK-801) blockade of the NMDA receptor, implying that both drugs bind to the same receptor site. The N -alkylglycine efficiently prevented in vitro excitotoxic neurodegeneration of cerebellar and hippocampal neurons in culture. Attenuation of neuronal glutamate/NMDA-induced Ca2+ overload and subsequent modulation of the glutamate-nitric oxide-cGMP pathway seems to underlie N20C neuroprotection. Noteworthy, this molecule exhibited significant in vivo neuroprotectant activity against an acute, severe, excitotoxic insult. Taken together, these findings indicate that N -alkylglycine N20C is a novel, low molecular weight, moderate-affinity NMDA receptor open channel blocker with in vitro and in vivo neuroprotective activity, which, in due turn, may become a tolerated drug for the treatment of neurodegenerative diseases and cancer.

  兴奋毒性与缺血性中风、慢性神经退行性疾病的病因有关，最近还与胶质瘤的生长有关。因此，减少兴奋性毒性脑损伤的新型神经保护剂分子的开发受到了极大的关注。我们使用了一种基于离子电流阻滞的细胞测定法，筛选出了N-甲基-d-天冬氨酸（NMDA）受体上的N-烷基甘氨酸三聚体的合成组合库，NMDA受体是一种众所周知的参与兴奋毒性的分子靶点。我们报告了一系列选择性阻断 NMDA 受体的 N -烷基甘氨酸的鉴定结果。值得注意的是，化合物 3,3-二苯基丙基-N-甘氨酰胺（简称 N20C）以微摩尔亲和力、快速通断阻断动力学和强电压依赖性抑制 NMDA 受体通道活性。分子 N20C 并非竞争性谷氨酸或甘氨酸拮抗剂。相反，N20C 与阻断剂结合位点的饱和可阻止地佐西平（MK-801）对 NMDA 受体的阻断，这意味着这两种药物与相同的受体位点结合。N -烷基甘氨酸能有效防止体外培养的小脑和海马神经元的兴奋毒性神经变性。减轻神经元谷氨酸/NMDA 诱导的 Ca2+ 过载以及随后对谷氨酸-一氧化氮-GMP 途径的调节似乎是 N20C 神经保护作用的基础。值得注意的是，这种分子对急性、严重的兴奋性毒性损伤具有显著的体内神经保护活性。综上所述，这些研究结果表明，N-烷基甘氨酸 N20C 是一种新型、低分子量、中等亲和力的 NMDA 受体开放通道阻滞剂，具有体外和体内神经保护活性，它有可能成为治疗神经退行性疾病和癌症的耐受性药物。