1-苯磺酰基哌嗪 | 14172-55-5

• 物质功能分类: 医药中间体 - 杂环化合物 - 哌嗪类化合物
• 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: 1-苯磺酰基哌嗪
• 英文名称: 1-(phenylsulphonyl)piperazine
• 英文别名: 1-benzenesulfonylpiperazine；1-(phenylsulfonyl)piperazine；1-(benzenesulfonyl)piperazine
• CAS: 14172-55-5
• 化学式: C₁₀H₁₄N₂O₂S
• mdl: MFCD02182804
• 分子量: 226.299
• InChiKey: NANQJUFFKXWVJR-UHFFFAOYSA-N

物化性质

• 熔点：
  111-112°C
• 沸点：
  377.4±52.0 °C(Predicted)
• 密度：
  1.251±0.06 g/cm3(Predicted)
• 溶解度：
  26.6 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  57.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 安全说明：
  S23,S24/25
• 危险类别码：
  R20/21/22
• 海关编码：
  2933599090
• 危险类别：
  IRRITANT
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温、密闭保存，并确保环境干燥。

反应信息

• 作为反应物：
  描述：

  1-苯磺酰基哌嗪 在 palladium on activated charcoal 盐酸 、 4-二甲氨基吡啶 、 氢气 、 碳酸氢钠 、 三乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 生成 (2S,3R)-1-[4-(benzenesulfonyl)piperazine-1-carbonyl]-3-[3-(diaminomethylideneamino)propyl]-4-oxoazetidine-2-carboxylic acid
  参考文献：
  名称：

  Synthesis and SAR of 4-carboxy-2-azetidinone mechanism-based tryptase inhibitors

  摘要：

  A series of N1-activated C4-carboxy azetidinones was prepared and tested as inhibitors of human tryptase. The key stereochemical and functional features required for potency, serine protease specificity and aqueous stability were determined. From these studies compound 2, BMS-262084, was identified as a potent and selective tryptase inhibitor which, when dosed intratracheally in ovalbumin-sensitized guinea pigs, reduced allergen-induced bronchoconstriction and inflammatory cell infiltration into the lung. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00688-1
• 作为产物：
  描述：

  1-(4-氯苯磺酰基)-哌嗪 在 2-双环己基膦-2',6'-二甲氧基联苯 、 三乙基硅烷 、 三乙胺 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 作用下， 以 1,4-二氧六环 为溶剂， 反应 16.0h， 以77%的产率得到1-苯磺酰基哌嗪
  参考文献：
  名称：

  Expanding the scope of silane-mediated hydrodehalogenation reactions

  摘要：

  A palladium-catalysed, silane-mediated hydrodehalogenation (HDH) reaction with increased substrate scope has been developed. Whereas previous attempts to reduce carboxylic acid or phenol-containing aryl halides using silane-based HDH conditions failed, the current protocol allows efficient access to the reduced products. Chemoselective HDH in the presence of sensitive functional groups is also presented. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.06.063

文献信息

• MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS
  申请人：Combs Andrew Paul

  公开号：US20090286778A1

  公开（公告）日：2009-11-19

  The present invention relates to macrocyclic compounds of Formula I: or pharmaceutically acceptable salts thereof or quaternary ammonium salts thereof wherein constituent members are provided hereinwith, as well as their compositions and methods of use, which are JAK/ALK inhibitors useful in the treatment of JAK/ALK-associated diseases including, for example, inflammatory and autoimmune disorders, as well as cancer.

  本发明涉及以下化学式I的大环化合物： 或其药用可接受盐或季铵盐，其中所述成员在此提供，并且它们的组成物和使用方法，这些JAK/ALK抑制剂在治疗JAK/ALK相关疾病中有用，例如炎症和自身免疫性疾病以及癌症。
• Piperazine-substituted aryl and aralkyl carboxylic acids useful for
  申请人：Boehringer Mannheim GmbH

  公开号：US04616086A1

  公开（公告）日：1986-10-07

  The present invention is concerned with new carboxylic acid derivatives, with processes for the preparation thereof and with pharmaceutical compositions for lipid depression and thrombocyte aggregation, containing them, and to methods for treating infirmaties caused by excess lipids or thrombocyte aggregation. The new carboxylic acid derivatives according to the present invention are compounds of the general formula: ##STR1## wherein A is a valency bond or a lower alkylene chain, B is a valency bond or a saturated or unsaturated lower alkylene chain, R is hydrogen, an alkyl group which can be substituted by hydroxyl, carboxyl, sulphonic acid or optionally substituted phenoxy group, or R is an aralkyl radical, the aryl moiety of which can be substituted and the alkyl moiety of which is optionally unsaturated and can contain up to 4 carbon atoms, or R is a phenacyl radical, the phenyl moiety optionally substituted, or R is an acyl radical derived from aliphatic, araliphatic or aromatic carboxylic or sulphonic acid, or R is an aryl radical optionally substituted with the proviso that when A is a valency bond, R cannot be hydrogen, methyl, ethyl, hydroxyethyl, benzyl or phenyl, and the physiologically acceptable salts, esters and amides thereof.

  本发明涉及新的羧酸衍生物，涉及其制备方法以及用于脂质抑制和血小板聚集的药物组合物，其中包含它们，并且涉及用于治疗由于脂质过多或血小板聚集引起的疾病的方法。根据本发明的新羧酸衍生物是符合以下一般式的化合物：##STR1## 其中A是一个价键或较低的烷基链，B是一个价键或饱和或不饱和的较低烷基链，R是氢，一种可以被羟基，羧基，磺酸基或可选择地取代的苯氧基团取代的烷基团，或者R是一种芳基烷基基团，其芳基部分可以被取代，烷基部分可以是可选择地不饱和的并且可以含有多达4个碳原子，或者R是一种苯乙酰基基团，苯基部分可选择地取代，或者R是由脂肪，芳基脂肪或芳香族羧酸或磺酸衍生的酰基基团，或者R是一种芳基基团，可选择地取代，但当A是一个价键时，R不能是氢，甲基，乙基，羟乙基，苄基或苯基，以及其生理上可接受的盐，酯和酰胺。
• Aminopyrimidine Kinase Inhibitors
  申请人：Baldino Carmen M.

  公开号：US20110152235A1

  公开（公告）日：2011-06-23

  Disclosed are compounds, pharmaceutical compositions containing those compounds, and uses of the compounds and compositions as modulators of casein kinase 1 (e.g., CK1γ), casein kinase 2 (CK2), Pim 1, Pim2, Pim3, the TGFβ pathway, the Wnt pathway, the JAK/STAT pathway, and/or the mTOR pathway. Uses are also disclosed for the treatment or prevention of a range of therapeutic indications due at least in part to aberrant physiological activity of casein kinase 1 (e.g., CK1γ), casein kinase 2 (CK2), Pim 1, Pim2, Pim3, the TGFβ pathway, the Wnt pathway, the JAK/STAT pathway, and/or the mTOR pathway.

  揭示了化合物、含有这些化合物的药物组合物，以及这些化合物和组合物作为酪蛋白激酶1（例如CK1γ）、酪蛋白激酶2（CK2）、Pim 1、Pim2、Pim3、TGFβ途径、Wnt途径、JAK/STAT途径和/或mTOR途径调节剂的用途。还揭示了用于治疗或预防一系列治疗适应症的用途，至少部分原因是由于酪蛋白激酶1（例如CK1γ）、酪蛋白激酶2（CK2）、Pim 1、Pim2、Pim3、TGFβ途径、Wnt途径、JAK/STAT途径和/或mTOR途径的异常生理活性。
• Sulfonylpiperazines based on a flavone as antioxidant and cytotoxic agents
  作者：Rahul V. Patel、Bhupendra M. Mistry、Riyaz Syed、Nikhil M. Parekh、Han‐Seung Shin

  DOI：10.1002/ardp.201900051

  日期：2019.9

  Chrysin‐based sulfonylpiperazines 7a‐k were synthesized and investigated for their in vitro free radical scavenging potential as well as cytotoxic efficacies against selected cancer cell lines. Cytotoxicity of the new compounds toward noncancer cells was confirmed using the SRB assay against Madin–Darby Canine Kidney cells. Reaction of piperazine with different substituted benzenesulfonyl chlorides

  合成了基于白杨素的磺酰基哌嗪 7a-k，并研究了它们的体外自由基清除能力以及对选定癌细胞系的细胞毒性作用。使用针对 Madin-Darby 犬肾细胞的 SRB 测定证实了新化合物对非癌细胞的细胞毒性。哌嗪与不同取代苯磺酰氯在三乙胺提供的磺酰哌嗪 (3a-k) 中反应，然后与 7-(4-溴丁氧基)-5-羟基-2-苯基-4H-色胺-4-酮 (6 ) 制备白杨素与 1,4-二溴丁烷反应得到最终衍生物 7a-k。结果表明，白杨素-磺酰基哌嗪比以前研究的白杨素-哌嗪前体具有更好的抗氧化和抗癌功效。例如，化合物 7h、7j 和 7k 与 4-OCF3、4-OCH3、和 2,4-diOCH3 基团对 2,2-diphenyl-1-picrylhydrazyl (DPPH) 和 2,2'-azino-bis-3-ethylbenzothiazoline-6-sulfonic acid (ABTS) 自由基
• [EN] SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1<br/>[FR] AGONISTES À PETITES MOLÉCULES DE RÉCEPTEUR DE NEUROTENSINE 1
  申请人：SANFORD BURNHAM MED RES INST

  公开号：WO2014100501A1

  公开（公告）日：2014-06-26

  Provided herein are small molecule neurotensin receptor agonists, compositions comprising the compounds, and methods of using the compounds and compositions comprising the compounds.

  提供的是小分子神经降压素受体激动剂，包含这些化合物的组合物，以及使用这些化合物和包含这些化合物的组合物的方法。