5-Nitro-2-methyl-benzolsulfonsaeure-morpholid | 91215-03-1

• 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: 5-Nitro-2-methyl-benzolsulfonsaeure-morpholid
• 英文别名: 4-(2-methyl-5-nitro-benzenesulfonyl)-morpholine；4-(2-Methyl-5-nitrobenzenesulfonyl)morpholine；4-(2-methyl-5-nitrophenyl)sulfonylmorpholine
• CAS: 91215-03-1
• 化学式: C₁₁H₁₄N₂O₅S
• mdl: MFCD00844666
• 分子量: 286.309
• InChiKey: RAXMLADXHCSONC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-Nitro-2-methyl-benzolsulfonsaeure-morpholid 在 铁粉 、 溶剂黄146 作用下， 以39%的产率得到4-甲基-3-(吗啉-4-磺酰基)-苯胺
  参考文献：
  名称：

  [EN] PYRIMIDINES, TRIAZINES AND THEIR USE AS KINASE INHIBITORS
  [FR] PYRIMIDINES, TRIAZINES ET LEUR UTILISATION EN TANT QU'AGENTS PHARMACEUTIQUES

  摘要：

  公开号：

  WO2009118567A3
• 作为产物：
  描述：

  吗啉 、 2-甲基-5-硝基苯磺酰氯 以 乙酸乙酯 为溶剂， 以100%的产率得到5-Nitro-2-methyl-benzolsulfonsaeure-morpholid
  参考文献：
  名称：

  CB2 selective sulfamoyl benzamides: Optimization of the amide functionality

  摘要：

  Previous research within our laboratories identified sulfamoyl benzamides as novel cannabinoid receptor ligands. Optimization of the amide linkage led to the reverse amide 40. The compound exhibited robust antiallodynic activity in a rodent pain model when administered intraperitoneally. Efficacy after oral administration was observed only when ABT, a cytochrome P450 suicide inhibitor, was coadministered. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.091

文献信息

• PYRIMIDINES, TRIAZINES AND THEIR USE AS PHARMACEUTICAL AGENTS
  申请人：Wang Shudong

  公开号：US20110092490A1

  公开（公告）日：2011-04-21

  A compound of formula (I) and its pharmaceutically acceptable salts or solvates and physiologically hydrolysable, solubilising or immobilisable derivatives wherein: Ar is a 5-membered heteroaryl ring wherein X 1 and X 2 are one or two heteroatoms or Ar is a 6-membered aromatic ring, wherein heteroatoms are selected from S, O, N, Se; Z is NH, NHCO, NHSO 2 , N-alkyl, CH 2 NH, CH 2 N-alkyl, CH 2 , CH 2 CH 2 , CH═CH, CH 2 CONH, SO 2 , or SO; Y is N CR 3 ; R 1 , R 2 , R 5 , R 6 , R 7 , R 8 and R 9 are each independently H, or a substituent; R 3 , when present, is selected from alkyl and a substituent, with the proviso that when Y is CR 3 , Ar is a 5-membered heterocycle comprising one or two N heteroatoms and Z is NH, then R3 is selected from C 3+ alkyl and a substituent; R 4 is selected from H, alkyl and R 13 as hereinbefore defined, with the proviso that when R 3 is absent, R 4 is selected from alkyl and a substituent; processes for the preparation thereof, intermediates and precursors therefore and the use thereof as a medicament, and therapeutic compositions comprising the compound.

  化合物式（I）及其药学上可接受的盐或溶剂化合物和生理水解、溶解或固定化衍生物，其中：Ar是一个5元杂环芳基环，其中X1和X2是一个或两个杂原子，或Ar是一个6元芳香环，其中杂原子选自S、O、N、Se；Z是NH、NHCO、NHSO2、N-烷基、CH2NH、CH2N-烷基、CH2、CH2CH2、CH═CH、CH2CONH、SO2或SO；Y是N CR3；R1、R2、R5、R6、R7、R8和R9各自独立地为H或取代基；R3在存在时，选自烷基和取代基，但当Y为CR3，Ar为一个包含一个或两个N杂原子的5元杂环，并且Z为NH时，R3选自C3+烷基和取代基；R4选自H、烷基和如上所述的R13，但当R3不存在时，R4选自烷基和取代基；其制备方法、中间体和前体以及作为药物的用途和包含该化合物的治疗组合物。
• CB2 selective sulfamoyl benzamides: Optimization of the amide functionality
  作者：Allan J. Goodman、Christopher W. Ajello、Karin Worm、Bertrand Le Bourdonnec、Markku A. Savolainen、Heather O’Hare、Joel A. Cassel、Gabriel J. Stabley、Robert N. DeHaven、Christopher J. LaBuda、Michael Koblish、Patrick J. Little、Bernice L. Brogdon、Steven A. Smith、Roland E. Dolle

  DOI：10.1016/j.bmcl.2008.11.091

  日期：2009.1

  Previous research within our laboratories identified sulfamoyl benzamides as novel cannabinoid receptor ligands. Optimization of the amide linkage led to the reverse amide 40. The compound exhibited robust antiallodynic activity in a rodent pain model when administered intraperitoneally. Efficacy after oral administration was observed only when ABT, a cytochrome P450 suicide inhibitor, was coadministered. (C) 2008 Elsevier Ltd. All rights reserved.
• [EN] PYRIMIDINES, TRIAZINES AND THEIR USE AS KINASE INHIBITORS<br/>[FR] PYRIMIDINES, TRIAZINES ET LEUR UTILISATION EN TANT QU'AGENTS PHARMACEUTIQUES
  申请人：UNIV NOTTINGHAM

  公开号：WO2009118567A3

  公开（公告）日：2010-03-11
• Fel'dman,I.Kh.; Mikhailova,V.N., Journal of general chemistry of the USSR, 1963, vol. 33, p. 33 - 37
  作者：Fel'dman,I.Kh.、Mikhailova,V.N.

  DOI：——

  日期：——
• EL-MAGHRABY, A. A.;SHEHATA, M. T.;EYADA, H. A.;EMAM, H. A.;BADRAN, M. K., PROC. INDIAN NAT. SCI. ACAD. A, 53,(1987) N 3, C. 431-440
  作者：EL-MAGHRABY, A. A.、SHEHATA, M. T.、EYADA, H. A.、EMAM, H. A.、BADRAN, M. K.

  DOI：——

  日期：——