(R)-(2-methyloxiran-2-yl)methyl 3-nitrobenzenesulfonate | 152218-28-5

• 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: (R)-(2-methyloxiran-2-yl)methyl 3-nitrobenzenesulfonate
• 英文别名: (R)-2-methylglycidyl-3-nitrobenzenesulfonate；[(2R)-2-methyloxiran-2-yl]methyl 3-nitrobenzenesulfonate
• CAS: 152218-28-5
• 化学式: C₁₀H₁₁NO₆S
• 分子量: 273.266
• InChiKey: HDTDGVNYXDYKSO-SNVBAGLBSA-N

物化性质

• 沸点：
  422.6±20.0 °C(Predicted)
• 密度：
  1.452±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  110
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (R)-(2-methyloxiran-2-yl)methyl 3-nitrobenzenesulfonate 、 2-氯-4-硝基咪唑 在 potassium carbonate 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 3.0h， 以77%的产率得到2-chloro-1-{[(2S)-2-methyloxiran-2-yl]methyl}-4-nitro-1H-imidazole
  参考文献：
  名称：

  EP1553088

  摘要：

  公开号：
• 作为产物：
  描述：

  (S)-2-甲基缩水甘油 、 3-硝基苯磺酰氯 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 17.0h， 以92.6%的产率得到
  参考文献：
  名称：

  EP1553088

  摘要：

  公开号：

文献信息

• [EN] THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE<br/>[FR] THIENOPYRIMIDINEDIONES ET LEUR UTILISATION DANS LA MODULATION DE MALADIES AUTO-IMMUNES
  申请人：ASTRAZENECA AB

  公开号：WO2004065394A1

  公开（公告）日：2004-08-05

  The invention relates to thienopyrimidinediones of formula (1) wherein R1 and R2 each independently represent a C1-6akyl, C3-6alkyl, C3-6alkenyl, C3-5cycloalkylC1-3alkyl or C3-6cycloalkyl; each of which may be optionally substituted by 1 to 3 halogen atoms R3 is a group CO-G or SO2-G where G is a 5- or 6-membered ring containing a nitrogen atom and a second heteroatom selected from oxygen and sulphur adjacent to the nitrogen; the ring being substituted by at least one group as defined in the specification, Q is CR4R5 where R4 is hydrogen, fluorine or C1-6 alkyl and R5 is hydrogen, fluorine or hydroxy; and Ar is a 5-10-membered aromatic ring system wherein up to 4 ring atoms may be heteroatoms independently selected from nitrogen, oxygen and sulphur, the ring system being optionally substituted by one or more groups defined in the specification; as well as pharmaceutically acceptable salts and solvates thereof. Processes for their preparation of the compounds, pharmaceutical compositions containing them and their use in therapy, in particular in immunosuppression therapy are also described.

  该发明涉及式（1）的噻吩嘧啶二酮，其中R1和R2分别独立表示C1-6烷基，C3-6烷基，C3-6烯基，C3-5环烷基C1-3烷基或C3-6环烷基；每个基可能被1至3个卤原子取代，R3是一个基CO-G或SO2-G，其中G是一个含有氮原子和氮旁边选择的氧和硫的5-或6-成员环；该环被至少一个如规范中定义的基所取代，Q是CR4R5，其中R4是氢，氟或C1-6烷基，R5是氢，氟或羟基；Ar是一个5-10成员芳香环系统，其中最多4个环原子可以是独立选择的氮、氧和硫的杂原子，该环系统可以被一个或多个如规范中定义的基取代；以及其药学上可接受的盐和溶剂。还描述了制备这些化合物的方法，含有它们的药物组合物以及它们在疗法中的使用，特别是在免疫抑制疗法中的使用。
• Novel tricyclic spiropiperidines or spiropyrrolidines
  申请人：Hossain Nafizal

  公开号：US20050245741A1

  公开（公告）日：2005-11-03

  The invention provides compounds of formula (I) wherein m, R 1 , n, R 2 , q, X, Y, Z, R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , t and R 9 are as defined in the specification, processes for their preparation, pharmaceutical compositions containing them and their use in therapy.

  本发明提供了公式（I）的化合物，其中m、R1、n、R2、q、X、Y、Z、R3、R4、R5、R6、R7、R8、t和R9如规范中所定义，以及它们的制备方法、包含它们的制药组合物及其在治疗中的应用。
• Chemical compounds
  申请人：Alcaraz Lilian

  公开号：US20050107428A1

  公开（公告）日：2005-05-19

  The invention provides compounds of formula (I):[Chemical formula should be inserted here. Please see paper copy]wherein: X is CH 2 , O, S(O) 2 or NR 10 ; Y is a bond, CH 2 , NR 35 , CH 2 NH, CH 2 NHC(O), CH(OH), CH(NHCOR 33 ), CH(NHSO 2 R 34 ), CH 2 O or CH 2 S; Z is C(O), or when Y is a bond Z can also be S(O) 2 ; R 1 is optionally substituted aryl, optionally substituted heterocyclyl or C 4-6 cycloalkyl fused to a benzene ring; and R 2 , R 3 , R 4 , R 5 , R 6 , R 7 and R 8 , R 9 , R 10 , R 32 , R 33 , R 34 and R 35 are as defined herein; are modulators of chemokine (especially CCR3) activity (for use in, for example, treating asthma). The invention also provides a process for making 4-(3,4-dichlorophenoxy)piperidine, which is useful as an intermediate for making certain compounds of the invention.

  该发明提供了式（I）的化合物：[化学式应在此处插入。请参见纸质副本]其中：X为CH2，O，S（O）2或NR10；Y为键，CH2，NR35，CH2NH，CH2NHC（O），CH（OH），CH（NHCOR33），CH（NHSO2R34），CH2O或CH2S；Z为C（O），或当Y为键时，Z也可以是S（O）2；R1是可选择的取代芳基，可选择的取代杂环基或与苯环融合的C4-6环烷基；R2、R3、R4、R5、R6、R7和R8、R9、R10、R32、R33、R34和R35如本文所定义；是趋化因子（特别是CCR3）活性调节剂（例如用于治疗哮喘）。该发明还提供了制备4-（3,4-二氯苯氧基）哌啶的方法，该方法有用于制备该发明的某些化合物的中间体。
• Novel compounds
  申请人：Cooper Edward Martin

  公开号：US20060052380A1

  公开（公告）日：2006-03-09

  The invention relates to thienopyridazinones of formula (I): wherein: R 1 is C 1-6 alkyl, C 2-6 alkenyl or C 3-6 cycloalkyl which is optionally substituted by C 1-6 alkyl, each of the above being optionally substituted by one or more halogen atoms; R 2 is C 1-6 alkyl; R 3 is a group CO-G or SO 2 -G where G is a 5- or 6-membered ring containing a nitrogen atom and a second heteroatom selected from oxygen and sulphur adjacent to the nitrogen, and optionally substituted by up to 3 groups selected from hydroxyl and C 1-4 alkyl; Q is CR 5 R 6 where R 5 and R 6 are as defined in the specification; and R 4 is a 5- to 10-membered mono- or bi-cyclic aromatic ring system, containing 0 to 4 heteroatoms independently selected from nitrogen, oxygen and sulphur, the ring system being optionally substituted as described in the specification, and pharmaceutically acceptable salts and solvates thereof. Processes for their preparation, pharmaceutical compositions containing them and their use in therapy, in particular in the modulation of autoimmune disease are also described.

  本发明涉及式(I)的噻吩并吡嗪酮：其中：R1为C1-6烷基，C2-6烯基或C3-6环烷基，其可选地被C1-6烷基取代，上述每种取代基可选地被一个或多个卤素原子取代；R2为C1-6烷基；R3为CO-G或SO2-G基团，其中G为一个5-或6-成员环，其中包含一个氮原子和一个邻近氮原子的第二杂原子，所述环可选地被最多3个羟基和C1-4烷基中的一个或多个基团取代；Q为CR5R6，其中R5和R6如规范所定义；R4为一个5-到10-成员的单环或双环芳香环系统，其中包含0到4个独立选择的杂原子，包括氮、氧和硫，所述环系统可按规范中描述的方式取代，以及其药学上可接受的盐和溶剂化合物。还描述了其制备方法、含有它们的制药组合物以及它们在治疗中的应用，特别是在自身免疫性疾病的调节方面的应用。
• Thienopyriminediones and their use in the modulation of autoimmune disease
  申请人：Guile David Simon

  公开号：US20060052400A1

  公开（公告）日：2006-03-09

  The invention relates to thienopyrimidinediones of formula (1) wherein R 1 and R 2 each independently represent a C 1-6 akyl, C 3-6 alkyl, C 3-6 alkenyl, C 3-5 cycloalkylC 1-3 alkyl or C 3-6 cycloalkyl; each of which may be optionally substituted by 1 to 3 halogen atoms R 3 is a group CO-G or SO 2 -G where G is a 5- or 6-membered ring containing a nitrogen atom and a second heteroatom selected from oxygen and sulphur adjacent to the nitrogen; the ring being substituted by at least one group as defined in the specification, Q is CR 4 R 5 where R 4 is hydrogen, fluorine or C 1-6 alkyl and R 5 is hydrogen, fluorine or hydroxy; and Ar is a 5-10-membered aromatic ring system wherein up to 4 ring atoms may be heteroatoms independently selected from nitrogen, oxygen and sulphur, the ring system being optionally substituted by one or more groups defined in the specification; as well as pharmaccutically acceptable salts and solvates thereof. Processes for their preparation of the compounds, pharmaceutical compositions containing them and their use in therapy, in particular in immunosuppressive therapy are also described.

  本发明涉及公式（1）的噻唑嘧啶二酮，其中R1和R2各自独立地表示C1-6烷基，C3-6烷基，C3-6烯基，C3-5环烷基C1-3烷基或C3-6环烷基；每个基团可以选择性地被1至3个卤素原子取代。R3是一个CO-G或SO2-G基团，其中G是一个5或6元环，包含一个氮原子和一个紧邻氮原子的第二个杂原子，可以选择性地被规范中定义的至少一个基团取代。Q是CR4R5，其中R4是氢，氟或C1-6烷基，R5是氢，氟或羟基；Ar是一个5-10元芳香环系统，其中最多4个环原子可以独立选择为氮，氧和硫杂原子，该环系统可以选择性地被规范中定义的一个或多个基团取代；以及其药学上可接受的盐和溶剂化合物。还描述了制备这些化合物的方法，包含它们的药物组成物以及它们在治疗中的应用，特别是在免疫抑制治疗中的应用。