N-[(1-t-Butoxycarbonylpiperidin-4-yl)methyl]-N-phenylmethanesulfonamide | 199105-11-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-[(1-t-Butoxycarbonylpiperidin-4-yl)methyl]-N-phenylmethanesulfonamide
• 英文别名: tert-butyl 4-[(N-methylsulfonylanilino)methyl]piperidine-1-carboxylate
• CAS: 199105-11-8
• 化学式: C₁₈H₂₈N₂O₄S
• 分子量: 368.497
• InChiKey: ISTDOCMXJDAUAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  75.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-[(1-t-Butoxycarbonylpiperidin-4-yl)methyl]-N-phenylmethanesulfonamide 在 盐酸 作用下， 以 甲醇 为溶剂， 生成 N-phenyl-N-(piperidin-4-ylmethyl)methanesulfonamide
  参考文献：
  名称：

  Serine derived NK1 antagonists 2: a pharmacophore model for arylsulfonamide binding

  摘要：

  Modifications to the spirocyclic aryl sulfonamide portion of serine derived NK, antagonists allow a partial pharmacophore model to be developed. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00319-9
• 作为产物：
  描述：

  tert-butyl 4-(phenylcarbamoyl)piperidine-1-carboxylate 在 吡啶 、 硼烷四氢呋喃络合物 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 N-[(1-t-Butoxycarbonylpiperidin-4-yl)methyl]-N-phenylmethanesulfonamide
  参考文献：
  名称：

  Serine derived NK1 antagonists 2: a pharmacophore model for arylsulfonamide binding

  摘要：

  Modifications to the spirocyclic aryl sulfonamide portion of serine derived NK, antagonists allow a partial pharmacophore model to be developed. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00319-9

文献信息

• 2-aryl indole derivatives and their use as therapeutic agents
  申请人：——

  公开号：US20010039286A1

  公开（公告）日：2001-11-08

  The present invention relates compounds of the formula (I): 1 wherein R 1a , R 1b ; and R 2 represent a variety of substituents; R 3 represents an optionally substituted phenyl, biphenyl or naphthyl or heteroaryl group; R 4 represents hydrogen, C 1-6 alkyl, carbonyl (=O), (CH 2 ) p phenyl or a C 1-2 alkylene bridge across the piperidine ring; R 5 and R 6 each independently represent a variety of substituents; or R 5 and R 6 together are linked so as to form an optionally substituted 5-or 6-membered ring; X represents an oxygen or a sulfur atom, two hydrogen atoms, ═NH or ═N(C 1-6 alkyl); Y is a straight or branched C 1-4 alkylene, C 2-4 alkenylene or C 2-4 alkynylene chain; the dotted line represents an optional double bond; m is zero or an integer from 1 to 4; n is an integer from 1 to 4; and p is an integer from 1 to 4; or a pharmaceutically acceptable salt thereof. The compounds are of particular use in the treatment or prevention of depression, anxiety, pain, inflammation, migaine, emesis or postherpetic neuralgia.

  本发明涉及以下式（I）的化合物： 1 其中 R 1a ，R 1b ; 和 R 2 代表各种取代基; R 3 代表可选择地取代的苯基、联苯基或萘基或杂环芳基; R 4 代表氢、C 1-6 烷基、羰基（=O）、（CH 2 ） p 苯基或穿过哌啶环的 C 1-2 烷基桥; R 5 和 R 6 各自独立地代表各种取代基; 或 R 5 和 R 6 一起连接以形成可选择地取代的5-或6-成员环; X代表氧或硫原子、两个氢原子、═NH或═N(C 1-6 烷基); Y是直链或支链C 1-4 烷基、C 2-4 烯基或C 2-4 炔基链; 虚线表示可选的双键; m为零或1至4的整数; n为1至4的整数; p为1至4的整数; 或其药学上可接受的盐。 这些化合物在治疗或预防抑郁症、焦虑、疼痛、炎症、偏头痛、呕吐或带状疱疹后神经痛方面特别有用。
• Serine derivatives and their use as therapeutic agents
  申请人：Merck Sharp & Dohme Ltd.

  公开号：US05885999A1

  公开（公告）日：1999-03-23

  The present invention relates to compounds of formula (I): ##STR1## wherein m is zero, 1 or 2; and n is zero or 1, with the proviso that the sum total of m+n is 1 or 2; R.sup.1 represents phenyl; naphthyl; benzhydryl; or benzyl, where the naphthyl group or any phenyl moiety may be substituted; R.sup.2 represents hydrogen; phenyl; heteroaryl selected from indazolyl, thienyl, furanyl, pyridyl, thiazolyl, tetrazolyl and quinolinyl; naphthyl; benzhydryl; or benzyl; wherein each heteroaryl, the naphthyl group and any phenyl moiety may be substituted; R.sup.3 and R.sup.4 each independently represents hydrogen or C.sub.1-6 alkyl or R.sup.3 and R.sup.4 together are linked so as to form a C.sub.1-3 alkylene chain; Q represents CR.sup.5 R.sup.6 or NR.sup.5 ; X and Y each independently represents hydrogen, or together form a group .dbd.O; and Z represents a bond, O, S, SO, SO.sub.2, NR.sup.c or --(CR.sup.c R.sup.d)--, where R.sup.c and R.sup.d each independently represent hydrogen or C.sub.1-6 alkyl; or a pharmaceutically acceptable salt thereof. The compounds are of particular use in the treatment or prevention of pain, inflammation, migraine, emesis and postherpetic neuralgia.

  本发明涉及式（I）的化合物：##STR1## 其中，m为零，1或2；n为零或1，但须满足m+n的总和为1或2；R.sup.1代表苯基；萘基；苯基甲基；或苄基，其中萘基或任何苯基基团可以被取代；R.sup.2代表氢；苯基；从吲唑基、噻吩基、呋喃基、吡啶基、噻唑基、四唑基和喹啉基中选择的杂环基；萘基；苯基甲基；或苄基；其中每个杂环基、萘基和任何苯基基团可以被取代；R.sup.3和R.sup.4各自独立地代表氢或C.sub.1-6烷基，或者R.sup.3和R.sup.4一起连接形成C.sub.1-3烷基链；Q代表CR.sup.5R.sup.6或NR.sup.5；X和Y各自独立地代表氢，或者一起形成.dbd.O基团；Z代表键，O，S，SO，SO.sub.2，NR.sup.c或--(CR.sup.cR.sup.d)--，其中R.sup.c和R.sup.d各自独立地代表氢或C.sub.1-6烷基；或其药学上可接受的盐。这些化合物特别适用于治疗或预防疼痛、炎症、偏头痛、恶心和带状疱疹后神经痛。
• US5885999A
  申请人：——

  公开号：US5885999A

  公开（公告）日：1999-03-23
• Serine derived NK1 antagonists 2: a pharmacophore model for arylsulfonamide binding
  作者：J.M. Elliott、H. Broughton、M.A. Cascieri、G. Chicchi、I.T. Huscroft、M. Kurtz、A.M. MacLeod、S. Sadowski、G.I. Stevenson

  DOI：10.1016/s0960-894x(98)00319-9

  日期：1998.7

  Modifications to the spirocyclic aryl sulfonamide portion of serine derived NK, antagonists allow a partial pharmacophore model to be developed. (C) 1998 Elsevier Science Ltd. All rights reserved.