1-methanesulfonyl-[4,4']bipiperidinyl | 263393-49-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-methanesulfonyl-[4,4']bipiperidinyl
• 英文别名: 1-methylsulfonyl-4-(piperidin-4-yl)piperidine；1-methansulfonyl-[4,4']bipiperidinyl；1-methanesulphonyl-[4,4']bipiperidinyl；1-(Methylsulfonyl)-4,4'-bipiperidine；1-methylsulfonyl-4-piperidin-4-ylpiperidine
• CAS: 263393-49-3
• 化学式: C₁₁H₂₂N₂O₂S
• mdl: MFCD06740340
• 分子量: 246.374
• InChiKey: XDTFJXHQMGHGDA-UHFFFAOYSA-N

物化性质

• 沸点：
  375.1±52.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 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

反应信息

• 作为反应物：
  描述：

  1-methanesulfonyl-[4,4']bipiperidinyl 在 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 0.83h， 以45%的产率得到4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidine-1-carboxylic acid (R)-1-(3,5-dibromo-4-hydroxy-benzyl)-2-(1'-methanesulfonyl-[4,4']bipiperidinyl-1-yl)-2-oxo-ethyl ester
  参考文献：
  名称：

  [DE] AUSGEWÄHLTE CGRP-ANTAGONISTEN, VERFAHREN ZU DEREN HERSTELLUNG SOWIE DEREN VERWENDUNG ALS ARZNEIMITTEL
  [EN] SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS
  [FR] ANTAGONISTES CGRP SELECTIONNES, PROCEDES DE PRODUCTION ASSOCIES ET LEUR UTILISATION EN TANT QUE MEDICAMENTS

  摘要：

  本发明的对象是公式(I)中的CGRP拮抗剂，其中A、X、D、E、G、M、Q和R1至R3如权利要求1所定义，其互变异构体、其同分异构体、其对映异构体、其立体异构体、其水合物、其混合物及其盐，特别是其与无机或有机酸形成的生理耐受盐，含有这些化合物的药物，其用途以及其制备方法。

  公开号：

  WO2005092880A1

文献信息

• Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions
  申请人：Mueller Georg Stephan

  公开号：US20050256099A1

  公开（公告）日：2005-11-17

  The present invention relates to the CGRP antagonists of general formula wherein A, X, Q and R 1 to R 3 are defined as in claim 1, the tautomers, the isomers, the diastereomers, the enantiomers, the hydrates, mixtures and salts thereof and the hydrates of the salts, particularly the physiologically acceptable salts thereof with inorganic or organic acids, pharmaceutical compositions containing these compounds, their use and processes for preparing them.

  本发明涉及一般式的CGRP拮抗剂 其中A、X、Q和R 1 至R 3 如权利要求书中所定义， 其互变异构体、异构体、二对映异构体、对映异构体、水合物、混合物及其盐和盐的水合物，特别是其与无机或有机酸形成的生理上可接受的盐，含有这些化合物的药物组合物，它们的用途和制备它们的方法。
• Substituted benzoylpiperidine derivatives and their use as Neurokinin antagonists
  申请人：PFIZER INC.

  公开号：EP0992493A1

  公开（公告）日：2000-04-12

  The present invention provides a compound of the formula:- or a pharmaceutically acceptable acid addition salt thereof, wherein Ar is phenyl substituted by 1 or 2 substituent(s) each independently selected from fluoro and chloro; X is NSO2(C1-C4 alkyl), NSO2(halo(C1-C4 alkyl)) or O; m is 0 or 1 ; n is 1 or 2; p is 1 or 2; q is 1 or 2; and r is 1 or 2, together with processes for the preparation of, intermediates used in the preparation of, compositions containing and uses of, such derivatives. The compounds have tachykinin receptor antagonist activity.

  本发明提供了以下式的化合物：- 或其药学上可接受的酸盐，其中Ar是苯基，其上取代1个或2个取代基，每个取代基独立选择自氟和氯；X是NSO2(C1-C4烷基)，NSO2(halo(C1-C4烷基))或O；m为0或1；n为1或2；p为1或2；q为1或2；r为1或2；以及用于制备、制备中间体、含有和用途的过程，这些衍生物具有Tachykinin受体拮抗活性。
• Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions
  申请人：RUDOLF Klaus

  公开号：US20100113411A1

  公开（公告）日：2010-05-06

  The present invention relates to CGRP antagonists of general formula wherein A, U, V, W, X and R 1 to R 3 are defined as in claim 1, the tautomers, diastereomers, enantiomers, hydrates, mixtures thereof and the salts thereof as well as the hydrates of the salts, particularly the physiologically acceptable salts thereof with inorganic or organic acids, pharmaceutical compositions containing these compounds, the use thereof and processes for preparing them.

  本发明涉及一般式为的CGRP拮抗剂其中A、U、V、W、X和R1到R3的定义如权利要求书中所述，其互变异构体、对映异构体、单纯异构体、水合物、混合物及其盐，以及其盐的水合物，尤其是与无机或有机酸形成的生理学上可接受的盐，含有这些化合物的制药组合物，其使用方法和制备方法。
• SELECTED CGRP-ANTAGONISTS, PROCESS FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS
  申请人：MUELLER Stephan Georg

  公开号：US20100234361A1

  公开（公告）日：2010-09-16

  The present invention relates to the CGRP antagonists of general formula wherein A, X, D, E, G, M, Q and R 1 to R 3 are defined as in claim 1, the tautomers, the isomers, the diastereomers, the enantiomers, the hydrates thereof, the mixtures thereof and the salts thereof and the hydrates of the salts, particularly the physiologically acceptable salts thereof with inorganic or organic acids, pharmaceutical compositions containing these compounds, the use thereof and processes for the preparation thereof.

  本发明涉及一般式为的CGRP拮抗剂其中A，X，D，E，G，M，Q和R1至R3如权利要求1中所定义，其互变异构体，异构体，对映异构体，对映体，水合物，其混合物和其盐以及盐的水合物，特别是其与无机或有机酸的生理上可接受的盐，含有这些化合物的制药组合物，其用途以及其制备方法。
• Modified amino acids, pharmaceuticals containing these compounds and method for their production
  申请人：RUDOLF Klaus

  公开号：US20090163480A1

  公开（公告）日：2009-06-25

  The present invention relates to modified amino acids of general formula wherein A, Z, X, n, m, R, R 2 , R 3 , R 4 and R 11 are defined as in claims 1 to 5 , their tautomers, their diastereomers, their enantiomers, the mixtures thereof and the salts thereof, particularly the physiologically acceptable salts thereof with inorganic or organic acids or bases, pharmaceutical compositions containing these compounds, the use thereof and processes for preparing them as well as their use for the production and purification of antibodies and as labelled compounds in RIA- and ELISA assays and as diagnostic or analytical aids in neurotransmitter research.

  本发明涉及一般式为的改性氨基酸，其中A，Z，X，n，m，R，R2，R3，R4和R11如权利要求1至5所定义，它们的互变异构体，对映异构体，混合物及其盐，特别是与无机或有机酸或碱的生理上可接受的盐，含有这些化合物的制药组合物，它们的用途和制备它们的过程，以及它们用于生产和纯化抗体，并用作RIA和ELISA测定中的标记化合物以及神经递质研究中的诊断或分析辅助工具。