替卡格雷-intim L | 866683-38-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 替卡格雷-intim L
• 中文别名: 替卡格雷-intimL
• 英文名称: [(3,4-difluorophenyl)ethynyl]trimethylsilane
• 英文别名: [2-(3,4-difluorophenyl)ethynyl]trimethylsilane；(3,4-difluoronhenylethynyl)-trimethylsilane；Benzene, 1,2-difluoro-4-[2-(trimethylsilyl)ethynyl]-；2-(3,4-difluorophenyl)ethynyl-trimethylsilane
• CAS: 866683-38-7
• 化学式: C₁₁H₁₂F₂Si
• 分子量: 210.299
• InChiKey: NTYPQTJKROFKMA-UHFFFAOYSA-N

物化性质

• 沸点：
  206.4±40.0 °C(Predicted)
• 密度：
  1.04±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.19
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  替卡格雷-intim L 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 3,4-二氟苯乙炔
  参考文献：
  名称：

  [EN] METALLOENZYME INHIBITOR COMPOUNDS
  [FR] COMPOSÉS INHIBITEURS DE MÉTALLOENZYMES

  摘要：

  这项即时发明描述了具有金属酶调节活性的化合物，以及治疗由这些金属酶介导的疾病、疾病或症状的方法。

  公开号：

  WO2013090210A1
• 作为产物：
  描述：

  3,4-二氟溴苯 、 三甲基乙炔基硅 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 作用下， 反应 12.0h， 以78%的产率得到替卡格雷-intim L
  参考文献：
  名称：

  在恶性疟原虫 NSG 小鼠模型中鉴定 2,4-二取代咪唑并吡啶作为具有快速杀伤动力学和体内功效的血红素形成抑制剂

  摘要：

  一系列 2,4-二取代咪唑并吡啶源自 SoftFocus 激酶文库，是从针对人类疟疾寄生虫恶性疟原虫的高通量表型筛选中鉴定出来的。命中化合物显示出中等的无性血阶段活性。在先导优化过程中，标记了几个问题，例如对多重耐药 K1 菌株的交叉耐药性、体外细胞毒性和心脏毒性，并通过结构-活性和结构-性质关系研究得到解决。在小鼠中评估了化合物的药代动力学特性，这些化合物显示出理想的体外活性、细胞毒性的选择性窗口和微粒体代谢稳定性。领跑者化合物37在小鼠中显示出良好的暴露，并结合良好的体外抗疟原虫活性，这在恶性疟原虫NOD -scid IL-2Rγ无效（NSG）小鼠模型中转化为体内功效。初步机理研究表明抑制血红素形成是一种促成作用方式。

  DOI：

  10.1021/acs.jmedchem.0c01411

文献信息

• [EN] ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS<br/>[FR] INHIBITEURS ALPHA-D-GALACTOSIDE DE GALECTINES
  申请人：GALECTO BIOTECH AB

  公开号：WO2016120403A1

  公开（公告）日：2016-08-04

  The present invention relates to a compound of the general formula (1). wherein the pyranose ring is a-D-galactopyranose, A is selected from The compound of formula (1) is suitable for use in a method for treating a disorder relating to the binding of a galectin, such as galectin-3 to a ligand in a mammal, such as a human. Furthermore the present invention concerns compounds for use in a method of treatment of a disorder relating to the binding of a galectin, such as galectin-3 to a ligand in a mammal, such as a human.

  本发明涉及一般式（1）的化合物。其中吡喃糖环为α-D-半乳糖，A选自。该式（1）化合物适用于治疗与在哺乳动物，如人类中的一个配体结合相关的疾病的方法。此外，本发明涉及用于治疗与在哺乳动物，如人类中的一个配体结合相关的疾病的方法的化合物。
• [EN] PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS<br/>[FR] DERIVES DE PYRIDYLE ET LEUR UTILISATION EN TANT QU'ANTAGONISTES DU RECEPTEUR DE MGLU5
  申请人：LILLY CO ELI

  公开号：WO2005094822A1

  公开（公告）日：2005-10-13

  The present invention is directed toward pyridyl derivatives of formula (I) as antagonists of the mGlu5 receptor. As such the compounds may be useful for treatment or prevention of disorders remedied by antagonism of the mGlu5 receptor, wherein Ar is phenyl or napthyl each of which may be substituted by one or more C1-C4 alkyl, C1-C4 alkoxy, C1-C5 acyl, halo, amino, nitro, cyano, hydroxy, C1-C5 acylamino, C1-C4 alkylsulfonylamino, mono-, di- or trifluorinated C1-C3 alkyl, substituents which may be the same or different and may bear a CONH2, CONHCH3, CON(CH3)2, CO2H, CO2CH3, OCF3, CH2NHCOCH3, CH2NH2, CH2N(CH3)2, CH2CN, CH2OH, CH2NHSO2CH3, CH2N(CH3)(CH2)2 CN, CH2N(CH3)CH(CH3)2, CH2NHCH(CH3)2, CH2NH(CH2)2CH3, CH2NHCO2R4, CH2NHCH2CH3, CH2NHCH3 NHCOC(CH3)2, or N(S(O)2CH3)2 substituent; R1 is hydrogen, halo, R4, CN, C(NOH)R3, C(NO-R4)R3, (CH)2CO2R4 , (CH2)n OR3 , COR3 , CF3, SR4 , S(O)R4, S(O)2R4, COCH2CO2R3 , NHSO2R4 , NHCOR3, C(NOR3)NH2, CH2OCOR3 , (CH2)n NH2, CON(CH3)2 (CH2)nNHCO2R4 , CO2R3, CONH2, CSNH2, C(NH)NHOR3, (CH2)nN(CH3)2, or CONHNHCOR3; R2 is 1,2-ethenediyl or 1,2-ethynediyl; R3 is hydrogen or C1-C4 alkyl; R4 is C1-C4 alkyl; and n is 0, 1, 2,3 or 4; or a pharmaceutically acceptable salt thereof, or an N-oxide thereof.

  本发明涉及公式（I）的吡啶衍生物作为mGlu5受体拮抗剂。因此，这些化合物可能对通过拮抗mGlu5受体而得到缓解的疾病的治疗或预防有用，其中Ar是苯基或萘基，每种基可能被一个或多个C1-C4烷基，C1-C4烷氧基，C1-C5酰基，卤素，氨基，硝基，氰基，羟基，C1-C5酰胺基，C1-C4烷基磺酰胺基，单-，二-或三氟代的C1-C3烷基，取代基可能相同也可能不同，并且可能带有CONH2，CONHCH3，CON(CH3)2，CO2H，CO2CH3，OCF3，CH2NHCOCH3，CH2NH2，CH2N(CH3)2，CH2CN，CH2OH，CH2NHSO2CH3，CH2N(CH3)(CH2)2CN，CH2N(CH3)CH(CH3)2，CH2NHCH(CH3)2，CH2NH(CH2)2CH3，CH2NHCO2R4，CH2NHCH2CH3，CH2NHCH3 NHCOC(CH3)2或N(S(O)2CH3)2取代基；R1是氢，卤素，R4，CN，C(NOH)R3，C(NO-R4)R3，(CH)2CO2R4，(CH2)nOR3，COR3，CF3，SR4，S(O)R4，S(O)2R4，COCH2CO2R3，NHSO2R4，NHCOR3，C(NOR3)NH2，CH2OCOR3，(CH2)nNH2，CON(CH3)2(CH2)nNHCO2R4，CO2R3，CONH2，CSNH2，C(NH)NHOR3，(CH2)nN(CH3)2或CONHNHCOR3；R2是1,2-乙烯二基或1,2-乙炔二基；R3是氢或C1-C4烷基；R4是C1-C4烷基；n为0,1,2,3或4；或其药学上可接受的盐，或其N-氧化物。
• Pyridyl Derivatives and Their Use as Mglu5 Antagonists
  申请人：Agejas-Chicharro Francisco Javier

  公开号：US20080194647A1

  公开（公告）日：2008-08-14

  The present invention is directed toward pyridyl derivatives of formula (I) as antagonists of the mGlu5 receptor. As such the compounds may be useful for treatment or prevention of disorders remedied by antagonism of the mGlu5 receptor, wherein Ar is phenyl or napthyl each of which may be substituted by one or more C 1 -C 4 alkyl, C 1 -C 4 alkoxy, C 1 -C 5 acyl, halo, amino, nitro, cyano, hydroxy, C 1 -C 5 acylamino, C 1 -C 4 alkylsulfonylamino, mono-, di- or trifluorinated C 1 -C 3 alkyl, substituents which may be the same or different and may bear a CONH 2 , CONHCH 3 , CON(CH 3 ) 2 , CO 2 H, CO 2 CH 3 , OCF 3 , CH 2 NHCOCH 3 , CH 2 NH 2 , CH 2 N(CH 3 ) 2 , CH 2 CN, CH 2 OH, CH 2 NHSO 2 CH 3 , CH 2 N(CH 3 )(CH 2 ) 2 CN, CH 2 N(CH 3 )CH(CH 3 ) 2 , CH 2 NHCH(CH 3 ) 2 , CH 2 NH(CH 2 ) 2 CH 3 , CH 2 NHCO 2 R 4 , CH 2 NHCH 2 CH 3 , CH 2 NHCH 3 NHCOC(CH 3 ) 2 , or N(S(O) 2 CH 3 ) 2 substituent; R 1 is hydrogen, halo, R 4 , CN, C(NOH)R 3 , C(NO—R 4 )R 3 , (CH) 2 CO 2 R 4 , (CH 2 ) n OR 3 , COR 3 , CF 3 , SR 4 , S(O)R 4 , S(O) 2 R 4 , COCH 2 CO 2 R 3 , NHSO 2 R 4 , NHCOR 3 , C(NOR 3 )NH 2 , CH 2 OCOR 3 , (CH 2 ) n NH 2 , CON(CH 3 ) 2 (CH 2 ) n NHCO 2 R 4 , CO 2 R 3 , CONH 2 , CSNH 2 , C(NH)NHOR 3 , (CH 2 ) n N(CH 3 ) 2 , or CONHNHCOR 3 ; R 2 is 1,2-ethenediyl or 1,2-ethynediyl; R 3 is hydrogen or C 1 -C 4 alkyl; R 4 is C 1 -C 4 alkyl; and n is 0, 1, 2, 3 or 4; or a pharmaceutically acceptable salt thereof, or an N-oxide thereof.

  本发明涉及公式（I）的吡啶衍生物，作为mGlu5受体的拮抗剂。因此，这些化合物可能对治疗或预防通过拮抗mGlu5受体来治疗的疾病有用，其中Ar是苯基或萘基，可以被一个或多个C1-C4烷基，C1-C4烷氧基，C1-C5酰基，卤素，氨基，硝基，氰基，羟基，C1-C5酰基氨基，C1-C4烷基磺酰氨基，单，二或三氟代C1-C3烷基，取代基可以相同或不同，并且可能带有CONH2，CONHCH3，CON（CH3）2，CO2H，CO2CH3，OCF3，CH2NHCOCH3，CH2NH2，CH2N（CH3）2，CH2CN，CH2OH，CH2NHSO2CH3，CH2N（CH3）（CH2）2CN，CH2N（CH3）CH（CH3）2，CH2NHCH（CH3）2，CH2NH（CH2）2CH3，CH2NHCO2R4，CH2NHCH2CH3，CH2NHCH3NHCOC（CH3）2或N（S（O）2CH3）2取代基；R1是氢，卤素，R4，CN，C（NOH）R3，C（NO—R4）R3，（CH）2CO2R4，（CH2）nOR3，COR3，CF3，SR4，S（O）R4，S（O）2R4，COCH2CO2R3，NHSO2R4，NHCOR3，C（NOR3）NH2，CH2OCOR3，（CH2）nNH2，CON（CH3）2（CH2）nNHCO2R4，CO2R3，CONH2，CSNH2，C（NH）NHOR3，（CH2）nN（CH3）2或CONHNHCOR3；R2是1,2-乙烯基或1,2-乙炔基；R3是氢或C1-C4烷基；R4是C1-C4烷基；n为0、1、2、3或4；或其药学上可接受的盐或其N-氧化物。
• Pyridyl derivatives and their use as mGlu5 antagonists
  申请人：Eli Lilly and Company

  公开号：US07915424B2

  公开（公告）日：2011-03-29

  The present invention is directed toward pyridyl derivatives of formula (I) as antagonists of the mGlu5 receptor. As such the compounds may be useful for treatment or prevention of disorders remedied by antagonism of the mGlu5 receptor, wherein Ar is phenyl or napthyl each of which may be substituted by one or more C1-C4 alkyl, C1-C4 alkoxy, C1-C5 acyl, halo, amino, nitro, cyano, hydroxy, C1-C5 acylamino, C1-C4 alkylsulfonylamino, mono-, di- or trifluorinated C1-C3 alkyl, substituents which may be the same or different and may bear a CONH2, CONHCH3, CON(CH3)2, CO2H, CO2CH3, OCF3, CH2NHCOCH3, CH2NH2, CH2N(CH3)2, CH2CN, CH2OH, CH2NHSO2CH3, CH2N(CH3)(CH2)2 CN, CH2N(CH3)CH(CH3)2, CH2NHCH(CH3)2, CH2NH(CH2)2CH3, CH2NHCO2R4, CH2NHCH2CH3, CH2NHCH3 NHCOC(CH3)2, or N(S(O)2CH3)2 substituent; R1 is hydrogen, halo, R4, CN, C(NOH)R3, C(NO—R4)R3, (CH)2CO2R4, (CH2)n OR3, COR3, CF3, SR4, S(O)R4, S(O)2R4, COCH2CO2R3, NHSO2R4, NHCOR3, C(NOR3)NH2, CH2OCOR3, (CH2)nNH2, CON(CH3)2 (CH2)nNHCO2R4, CO2R3, CONH2, CSNH2, C(NH)NHOR3, (CH2)nN(CH3)2, or CONHNHCOR3; R2 is 1,2-ethenediyl or 1,2-ethynediyl; R3 is hydrogen or C1-C4 alkyl; R4 is C1-C4 alkyl; and n is 0, 1, 2, 3 or 4; or a pharmaceutically acceptable salt thereof, or an N-oxide thereof.

  本发明涉及公式（I）的吡啶衍生物作为mGlu5受体拮抗剂。因此，这些化合物可能有用于治疗或预防通过mGlu5受体拮抗疗法治疗的疾病，其中Ar为苯基或萘基，可以被一个或多个C1-C4烷基，C1-C4烷氧基，C1-C5酰基，卤素，氨基，硝基，氰基，羟基，C1-C5酰胺基，C1-C4烷基磺酰胺基，单，二或三氟化C1-C3烷基，取代基可以相同或不同，可以承载CONH2，CONHCH3，CON(CH3)2，CO2H，CO2CH3，OCF3，CH2NHCOCH3，CH2NH2，CH2N(CH3)2，CH2CN，CH2OH，CH2NHSO2CH3，CH2N(CH3)(CH2)2CN，CH2N(CH3)CH(CH3)2，CH2NHCH(CH3)2，CH2NH(CH2)2CH3，CH2NHCO2R4，CH2NHCH2CH3，CH2NHCH3，NHCOC(CH3)2或N（S（O）2CH3）2取代基；R1为氢，卤素，R4，CN，C（NOH）R3，C（NO—R4）R3，（CH）2CO2R4，（CH2）n OR3，COR3，CF3，SR4，S（O）R4，S（O）2R4，COCH2CO2R3，NHSO2R4，NHCOR3，C（NOR3）NH2，CH2OCOR3，（CH2）nNH2，CON（CH3）2（CH2）nNHCO2R4，CO2R3，CONH2，CSNH2，C（NH）NHOR3，（CH2）nN（CH3）2或CONHNHCOR3；R2为1,2-乙烯基或1,2-乙炔基；R3为氢或C1-C4烷基；R4为C1-C4烷基；n为0、1、2、3或4；或其药学上可接受的盐，或其N-氧化物。
• [EN] METALLOENZYME INHIBITOR COMPOUNDS<br/>[FR] COMPOSÉS INHIBITEURS DE MÉTALLOENZYMES
  申请人：VIAMET PHARMACEUTICALS INC

  公开号：WO2013090210A1

  公开（公告）日：2013-06-20

  The instant invention describes compounds having metalloenzyme modulating activity, and methods of treating diseases, disorders or symptoms thereof mediated by such metalloenzymes.

  这项即时发明描述了具有金属酶调节活性的化合物，以及治疗由这些金属酶介导的疾病、疾病或症状的方法。