4-(4-溴苯氧基)-苯磺酰氯 | 61405-25-2

• 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: 4-(4-溴苯氧基)-苯磺酰氯
• 英文名称: 4-Brom-4'-chlorsulfonyl-diphenylaether
• 英文别名: 4-(4-bromophenoxy)-benzenesulfonyl chloride；4-(4-Brom-phenoxy)-benzolsulfonylchlorid；4-(4-bromo-phenoxy)-benzenesulphonyl chloride；4-(4-Bromophenoxy)benzenesulfonyl chloride
• CAS: 61405-25-2
• 化学式: C₁₂H₈BrClO₃S
• mdl: MFCD09815768
• 分子量: 347.617
• InChiKey: PLFIHRLMNDKZGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2909309090

反应信息

• 作为反应物：
  描述：

  4-(4-溴苯氧基)-苯磺酰氯 在 钯 三甲基氯硅烷 、 氢气 、 溶剂黄146 、 三乙胺 作用下， 以 异辛烷 、 乙醇 、 二氯甲烷 、 乙酸乙酯 为溶剂， 生成 2(R)-1-(4-phenoxy-benzenesulfonyl)-piperidine-2-carboxylic acid
  参考文献：
  名称：

  US1992

  摘要：

  公开号：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 四氯化碳 、 溴 作用下， 生成 4-(4-溴苯氧基)-苯磺酰氯
  参考文献：
  名称：

  STUDIES IN THE DIPHENYL ETHER SERIES. II. PREPARATION AND STRUCTURE OF SOME SULFONIC ACIDS AND RELATED DERIVATIVES

  摘要：

  DOI：

  10.1021/ja01354a045

文献信息

• Metalloproteinase inhibitors-compositions, uses preparation and intermediates thereof
  申请人：Agouron Pharmaceuticals, Inc.

  公开号：US06500948B1

  公开（公告）日：2002-12-31

  The invention relates to compounds of the formula 1: wherein: Z is O or S; V is a divalent radical which together with C* and N forms a ring having six ring atoms, where each of said ring atoms other than C* and N independently is unsubstituted or substituted by a suitable substituent, and at least one of said other ring atoms is a heteroatom selected from O, N and S, and the remainder are carbon atoms; and Ar is an aryl or heteroaryl group; and pharmaceutically acceptable prodrugs, salts and solvates thereof. The invention further relates to pharmaceutically acceptable prodrugs, salts and solvates of these compounds. The invention also relates to methods of inhibiting the activity of metalloproteinases by administering a compound of the formula I or a prodrug, salt of solvate thereof. The invention further relates to pharmaceutical compositions comprising an effective amount of these compounds, prodrugs, salts, and solvates. The invention still further relates to methods and intermediates useful for preparing these compounds, prodrugs, salts, and solvates.

  这项发明涉及以下式子的化合物： 其中：Z为O或S；V为二价基团，与C*和N一起形成具有六个环原子的环，其中除C*和N之外的每个环原子独立地未取代或被适当取代基取代，且其中至少一个其他环原子为从O、N和S中选择的杂原子，其余为碳原子；Ar为芳基或杂芳基；以及其药学上可接受的前药、盐和溶剂化合物。 该发明还涉及这些化合物的药学上可接受的前药、盐和溶剂。该发明还涉及通过给予式I的化合物或其前药、盐或溶剂来抑制金属蛋白酶活性的方法。该发明还涉及包含这些化合物、前药、盐和溶剂的有效量的药物组合物。该发明还涉及用于制备这些化合物、前药、盐和溶剂的方法和中间体。
• Metalloproteinase inhibitors and intermediates useful for their
  申请人：Agouron Pharmaceuticals, Inc.

  公开号：US06153757A1

  公开（公告）日：2000-11-28

  The invention relates to compounds of formula (1) ##STR1## wherein: Z is O or S; V is a divalent radical which together with C* and N forms a ring having six ring atoms, where each of said ring atoms other than C* and N independently is unsubstituted or substituted by a suitable substituent, and at least one of said other ring atoms is a heteroatom selected from O, N and S, and the remainder is carbon atoms; and Ar is an aryl or heteroaryl group; and pharmaceutically acceptable prodrugs, salts and solvates thereof. The invention further relates to pharmaceutically acceptable prodrugs, salts and solvates of these compounds. The invention also relates to methods of inhibiting the activity of metalloproteinases by administering a compound of formula (1) or a prodrug, salt or solvate thereof. The invention further relates to pharmaceutical compositions comprising an effective amount of these compounds, prodrugs, salts, and solvates. The invention still further relates to methods and intermediates useful for preparing these compounds, prodrugs, salts, and solvates.

  该发明涉及式（1）的化合物##STR1##其中：Z为O或S；V为与C*和N一起形成具有六个环原子的环的二价基团，其中除C*和N之外的每个环原子独立地未取代或被适当取代基取代，且所述其他环原子中至少有一个是从O、N和S中选择的杂原子，其余为碳原子；Ar为芳基或杂芳基团；以及其药学上可接受的前药、盐和溶剂化合物。该发明还涉及这些化合物的药学上可接受的前药、盐和溶剂。该发明还涉及通过给予式（1）的化合物或其前药、盐或溶剂来抑制金属蛋白酶活性的方法。该发明还涉及包含这些化合物、前药、盐和溶剂的有效量的药物组合物。该发明还涉及用于制备这些化合物、前药、盐和溶剂的方法和中间体。
• Metalloproteinase inhibitors, pharmaceutical compositions containing
  申请人：Agouron Pharmaceuticals, Inc.

  公开号：US05753653A1

  公开（公告）日：1998-05-19

  The invention relates to compounds of the formula I ##STR1## in which Q is a divalent radical having four ring atoms which together with C* and N form a six-membered ring, each of these four ring atoms being unsubstituted or substituted by a suitable substituent and at least one being a heteroatom selected from O, N and S, with the remainder being carbon atoms; and Ar is an aryl or heteroaryl group. The invention further relates to pharmaceutically acceptable prodrugs and pharmaceutically acceptable salts of these compounds. The invention also relates to methods of inhibiting the activity of metalloproteinases, especially MMPs or TNF-.alpha., by administering a compound of the formula I or a salt or prodrug thereof. The invention further relates to pharmaceutical compositions comprising an effective amount of these compounds, salts, and prodrugs.

  该发明涉及公式I的化合物，其中Q是一个二价基团，具有四个环原子，这四个环原子与C*和N一起形成一个六元环，这四个环原子中的每一个未被取代或被适当取代，至少有一个是从O、N和S中选择的杂原子，其余为碳原子；Ar是芳基或杂芳基基团。该发明还涉及这些化合物的药学上可接受的前药和药学上可接受的盐。该发明还涉及通过给予公式I的化合物或其盐或前药来抑制金属蛋白酶活性的方法，特别是MMPs或TNF-α。该发明还涉及包含这些化合物、盐和前药的有效量的药物组合物。
• Novel molecular imaging ligands targeting matrix metalloproteinases 2 and 9 for imaging of unstable atherosclerotic plaques
  作者：Nazanin Hakimzadeh、Victorine A. Pinas、Ger Molenaar、Vivian de Waard、Esther Lutgens、Berthe L. F. van Eck-Smit、Kora de Bruin、Jan J. Piek、Jos L. H. Eersels、Jan Booij、Hein J. Verberne、Albert D. Windhorst

  DOI：10.1371/journal.pone.0187767

  日期：——

  Molecular imaging of matrix metalloproteinases (MMPs) may allow detection of atherosclerotic lesions vulnerable to rupture. In this study, we develop a novel radiolabelled compound that can target gelatinase MMP subtypes (MMP2/9) with high selectivity and inhibitory potency. Inhibitory potencies of several halogenated analogues of MMP subtype-selective inhibitors (N-benzenesulfonyliminodiacetyl monohydroxamates and N-halophenoxy-benzenesulfonyl iminodiacetyl monohydroxamates) were in the nanomolar range for MMP2/9. The analogue with highest inhibitory potency and selectivity was radiolabelled with [123I], resulting in moderate radiochemical yield, and high radiochemical purity. Biodistribution studies in mice, revealed stabilization in blood 1 hour after intravenous bolus injection. Intravenous infusion of the radioligand and subsequent autoradiography of excised aortas showed tracer uptake in atheroprone mice. Distribution of the radioligand showed co-localization with MMP2/9 immunohistochemical staining. In conclusion, we have developed a novel selective radiolabeled MMP2/9 inhibitor, suitable for single photon emission computed tomography (SPECT) imaging that effectively targets atherosclerotic lesions in mice.

  分子影像技术对于基质金属蛋白酶（MMPs）的成像可能有助于检测易破裂的动脉粥样硬化病变。在本研究中，我们开发了一种新型放射性标记化合物，该化合物能够高度选择性地靶向明胶酶MMP亚型（MMP2/9）并具有抑制活性。几种卤素化类似物的抑制活性对于MMP亚型选择性抑制剂（N-苯磺酰亚胺二乙酸单羟肟酸和N-卤代苯氧基苯磺酰亚胺二乙酸单羟肟酸）在纳米摩尔范围内对MMP2/9有效。具有最高抑制活性和选择性的类似物被[123I]标记，产生了中等放射化学产率和高度放射化学纯度。在小鼠中的生物分布研究表明，静脉注射后1小时血液中稳定。静脉注射放射配体并随后对切除的主动脉进行自显影显示，易患动脉粥样硬化的小鼠有示踪剂摄取。放射配体的分布显示出与MMP2/9免疫组织化学染色的共定位。总之，我们开发了一种新型选择性放射性标记的MMP2/9抑制剂，适用于单光子发射计算机断层摄影术（SPECT）成像，能有效靶向小鼠的动脉粥样硬化病变。
• Sulphonhydrazides and related compounds. Part VII. Some substituted sulphanilyl hydrazides
  作者：R. J. W. Cremlyn

  DOI：10.1039/j39670000077

  日期：——

  In a search for new pest-control agents, the following substituted sulphanilyl hydrazides have been prepared: 2- and 3-chloro; 2,5- and 3,5-dichloro; 3-nitro; 3,5-dinitro and 2,5-dimethoxy. Diphenyl ether 4,4′-bis-sulphonhydrazide and the 4-bromodiphenyl ether 4′-sulphonhydrazide are also described. The hydrazides have been converted into a number of derivatives (e.g., hydrazones, azides). A brief

  为了寻找新的害虫防治剂，已经制备了以下取代的磺酰苯胺酰肼：2-和3-氯；2,5-和3,5-二氯; 3-硝基; 3，5-二硝基和2，5-二甲氧基。还描述了二苯醚4,4'-双磺酰肼和4-溴二苯醚4'-磺酰肼。酰肼已经被转化为许多衍生物（例如，酰肼，叠氮化物）。简要介绍了氯磺化的相对容易程度和方向。