N-pentylethenesulfonamide | 1420812-39-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: N-pentylethenesulfonamide
• CAS: 1420812-39-0
• 化学式: C₇H₁₅NO₂S
• 分子量: 177.268
• InChiKey: CABCXUMLUSGGDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  54.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-pentylethenesulfonamide 、 苄胺 以 四氢呋喃 、 水 为溶剂， 反应 96.0h， 以87%的产率得到C₁₄H₂₄N₂O₂S
  参考文献：
  名称：

  3,2-Hydroxypyridinone (3,2-HOPO) vinyl sulfonamide and acrylamide linkers: aza-Michael addition reactions and the preparation of poly-HOPO chelators

  摘要：

  The HOPO vinyl sulfonamide 3 and the corresponding HOPO acrylamide 10 were easily prepared by short synthetic sequences. Investigation of the aza-Michael reactions of these linkers showed that they proceed at a higher rate in solvent systems containing water. The scope and limits of the aza-Michael reactions of 3 and 10 were examined. Reagents 3 and 10 reacted cleanly with piperazine to give the corresponding adducts which were deprotected to give the di-HOPO ligands 7 and 16. Reaction of HOPO acrylamide 10 with 1,4,7-triazacyclononane gave the tris-adduct 17 which was deprotected to give the desired tris-HOPO ligand 18. Overall, the aza-Michael reactions of 3 and 10 appear to be governed not only by the solvent but also by the nature of the amine and the solubility of the reaction intermediates. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.11.136
• 作为产物：
  描述：

  2-氯乙烷磺酰氯 、 1-氨基戊烷 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 以67%的产率得到N-pentylethenesulfonamide
  参考文献：
  名称：

  3,2-Hydroxypyridinone (3,2-HOPO) vinyl sulfonamide and acrylamide linkers: aza-Michael addition reactions and the preparation of poly-HOPO chelators

  摘要：

  The HOPO vinyl sulfonamide 3 and the corresponding HOPO acrylamide 10 were easily prepared by short synthetic sequences. Investigation of the aza-Michael reactions of these linkers showed that they proceed at a higher rate in solvent systems containing water. The scope and limits of the aza-Michael reactions of 3 and 10 were examined. Reagents 3 and 10 reacted cleanly with piperazine to give the corresponding adducts which were deprotected to give the di-HOPO ligands 7 and 16. Reaction of HOPO acrylamide 10 with 1,4,7-triazacyclononane gave the tris-adduct 17 which was deprotected to give the desired tris-HOPO ligand 18. Overall, the aza-Michael reactions of 3 and 10 appear to be governed not only by the solvent but also by the nature of the amine and the solubility of the reaction intermediates. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.11.136

文献信息

• Novel arylethene-sulfonamides
  申请人：——

  公开号：US20030220359A1

  公开（公告）日：2003-11-27

  The invention relates to novel aryl-ethene-sulfonamides and their use as active ingredients in the preparation of pharmaceutical compositions. The invention also concerns related aspects including processes for the preparation of the compounds, pharmaceutical compositions containing one or more of those compounds and especially their use as endothelin receptor antagonists.

  这项发明涉及新颖的芳基乙烯磺酰胺及其在制备药物组合物中作为活性成分的用途。该发明还涉及相关方面，包括制备这些化合物的过程、含有其中一个或多个化合物的药物组合物，特别是它们作为内皮素受体拮抗剂的用途。
• [EN] ARYLETHENESULFONAMIDE DERIVATIVES AND DRUG COMPOSITION CONTAINING THE SAME<br/>[FR] DERIVES ARYLETHENESULFONAMIDE ET COMPOSITION DE MEDICAMENTS RENFERMANT CES DERIVES
  申请人：YAMANOUCHI PHARMACEUTICAL CO., LTD.

  公开号：WO1997022595A1

  公开（公告）日：1997-06-26

  (EN) Novel arylethenesulfonamide derivatives having a high affinity for drugs, especially endoserine receptors, and represented by general formula (I); pharmacologically acceptable salts thereof; and drugs comprising the same as the active ingredient, especially endoserine receptor antagonists, wherein Ar represents optionally substituted aryl or optionally substituted five- or six-membered heteroaryl; X represents oxygen, sulfur, or the group represented by -NH-; Y represents oxygen or sulfur; R1 represents hydrogen, lower alkyl optionally substituted with halogeno, cycloalkyl, optionally substituted aryl, or optionally substituted five- or six-membered heteroaryl; R2 represents lower alkyl, lower alkenyl, or lower alkynyl each optionally substituted with one to three groups selected among hydroxy, lower alkoxys, cycloakyls, halogens, carboxy, and lower alkoxycarbonyls; R3 represents phenyl optionally substituted with one to four groups selected among optionally halogenated lower alkyls, lower alkoxys, halogens, lower alkylthios, lower alkylsulfinyls, lower alkanesulfonyls, carboxy, lower alkoxycarbonyls, and carbamoyl; and R4 and R5 are the same or different and each represents hydrogen or lower alkyl.(FR) Nouveaux dérivés aryléthènesulfonamide particulièrement adaptés pour des médicaments, notamment pour les récepteurs de l'endosérine, représentés par la formule génerale (I); sels pharmaceutiquement acceptables de ces dérivés et médicaments renfermant ces dérivés comme principe actif, en particulier antagonistes de récepteur de l'endosérine. Dans la formule, Ar représente un aryle facultativement substitué ou un hétéroaryle facultativement substitué à cinq ou six éléments; X représente l'oxygène, le soufre ou le groupe représenté par -NH-; Y représente l'oxygène ou le soufre; R1 représente hydrogène, alkyle inférieur facultativement substitué par halogéno, cycloalkyle, aryle facultativement substitué, ou hétéroaryle facultativement substitué à 5 ou 6 éléments; R2 représente alkyle inférieur, alcényle inférieur ou alcynyle inférieur, chacun étant facultativement substitué par un à trois groupes choisis parmi hydroxy, alcoxys inférieurs, cycloalkyles, halogènes, carboxy et alcoxycarbonyles inférieurs; R3 représente phényle, facultativement substitué par un à quatre groupes choisis parmi des alkyles inférieurs facultativement halogénés, des alcoxys inférieurs, des halogènes, des alkylthios inférieurs, des alkylesulfinyles inférieurs, des alkalsulfonyles inférieurs, carboxy, alkoxycarbonyles inférieurs et carbamoyle; et R4 et R5 sont identiques ou différents et représentent chacun hydrogène ou alkyle inférieur.

  (中) 具有高亲和力的新型芳基乙烯磺酰胺衍生物，特别是对药物的内源性丝氨酸受体具有高亲和力，其通式表示为(I)；其药理学上可接受的盐；以及作为活性成分的药物，特别是内源性丝氨酸受体拮抗剂，其中Ar表示可选取取代芳基或可选取取代的五元或六元杂环芳基；X表示氧、硫或由-NH-表示的基团；Y表示氧或硫；R1表示氢、低碳基可选取卤代、环烷基、可选取取代芳基或可选取取代的五元或六元杂环芳基；R2表示低碳基、低碳烯基或低碳炔基，每个基团可选取一个到三个在羟基、低碳基氧基、环烷基、卤素、羧基和低碳基氧羧基中选择的基团进行取代；R3表示苯基，可选取一个到四个在可选取卤代低碳基、低碳基氧基、卤素、低碳基硫基、低碳基亚磺酰基、低碳基烷基磺酰基、羧基、低碳基氧羧基和氨基中选择的基团进行取代；R4和R5相同或不同，每个基团表示氢或低碳基。
• ARYLETHENESULFONAMIDE DERIVATIVES AND DRUG COMPOSITION CONTAINING THE SAME
  申请人：YAMANOUCHI PHARMACEUTICAL CO., LTD.

  公开号：EP0882719A1

  公开（公告）日：1998-12-09

  Novel arylethenesulfonamide derivatives having a high affinity for drugs, especially endoserine receptors, and represented by general formula (I); pharmacologically acceptable salts thereof; and drugs comprising the same as the active ingredient, especially endoserine receptor antagonists, wherein Ar represents optionally substituted aryl or optionally substituted five- or six-membered heteroaryl; X represents oxygen, sulfur, or the group represented by -NH-; Y represents oxygen or sulfur; R1 represents hydrogen, lower alkyl optionally substituted with halogeno, cycloalkyl, optionally substituted aryl, or optionally substituted five- or six-membered heteroaryl; R2 represents lower alkyl, lower alkenyl, or lower alkynyl each optionally substituted with one to three groups selected among hydroxy, lower alkoxys, cycloakyls, halogens, carboxy, and lower alkoxycarbonyls; R3 represents phenyl optionally substituted with one to four groups selected among optionally halogenated lower alkyls, lower alkoxys, halogens, lower alkylthios, lower alkylsulfinyls, lower alkanesulfonyls, carboxy, lower alkoxycarbonyls, and carbamoyl; and R4 and R5 are the same or different and each represents hydrogen or lower alkyl.

  通式(I)表示的对药物，特别是对内丝氨酸受体具有高亲和力的新型芳基乙烯磺酰胺衍生物；其药理学上可接受的盐；以及以其为活性成分的药物，特别是内丝氨酸受体拮抗剂，其中Ar代表任选取代的芳基或任选取代的五元或六元杂芳基；X 代表氧、硫或由 -NH- 代表的基团； Y 代表氧或硫； R1 代表氢、任选被卤素取代的低级烷基、环烷基、任选被取代的芳基或任选被取代的五元或六元杂芳基；R2 代表低级烷基、低级烯基或低级炔基，各自任选被一至三个选自羟基、低级烷氧基、环烷基、卤素、羧基和低级烷氧羰基的基团取代；R3 代表苯基，可任选被一至四个基团取代，这些基团选自任选卤化的低级烷基、低级烷氧基、卤素、低级烷硫基、低级烷基亚磺酰基、低级烷磺酰基、羧基、低级烷氧基羰基和氨基甲酰基；以及 R4 和 R5 相同或不同，各自代表氢或低级烷基。
• Novel use of arylethenesulfonamide derivative
  申请人：——

  公开号：US20040138241A1

  公开（公告）日：2004-07-15

  Novel use of N-[6-methoxy-5-(2-methoxyphenoxy)-2-(pyrimidin-2-yl)-pyrimidin-4-yl]-2-phenylethenesulfonamide or a pharmaceutically acceptable salt thereof That is, a pharmaceutical composition for remedy of dysuria containing N-[6-methoxy-5-(2-methoxyphenoxy)-2-(pyrimidin-2-yl)-pyrimidin-4-yl]-2-phenylethenesulfonamide or a pharmaceutically acceptable salt thereof as an active ingredient.

  N-[6-甲氧基-5-(2-甲氧基苯氧基)-2-(嘧啶-2-基)-嘧啶-4-基]-2-苯乙烯磺酰胺或其药学上可接受的盐的新用途 即一种用于治疗排尿困难的药物组合物，含有N-&lsqb；6-甲氧基-5-(2-甲氧基苯氧基)-2-(嘧啶-2-基)-嘧啶-4-基]-2-苯乙烯磺酰胺或其药学上可接受的盐作为活性成分。
• Novel crystal of arylethenesulfonamide derivative and preparation process thereof
  申请人：——

  公开号：US20040162302A1

  公开（公告）日：2004-08-19

  Novel crystals of a potassium salt of (E)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-(pyrimidin-2-yl)pyrimidin-4-yl]-2-phenylethenesulfonamide, a preparation process thereof, and novel solvates of (E)-N-[6-methoxy-5-(2-ethoxyphenoxy)-2-(pyrimidin-2-yl)pyrimidin-4-yl]-2-phenylethenesulfonamide.

  (E)-N-[6-甲氧基-5-(2-甲氧基苯氧基)-2-(嘧啶-2-基)嘧啶-4-基&rsqb；-2-苯基乙烯磺酰胺、其制备方法以及(E)-N-[6-甲氧基-5-(2-乙氧基苯氧基)-2-(嘧啶-2-基)嘧啶-4-基]-2-苯基乙烯磺酰胺的新型溶胶。