3-(4-chlorophenyl)-5-(4-nitrophenyl)-1H-pyrazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(4-chlorophenyl)-5-(4-nitrophenyl)-1H-pyrazole
• 英文别名: 5-(4-chlorophenyl)-3-(4-nitrophenyl)-1H-pyrazole
• 化学式: C₁₅H₁₀ClN₃O₂
• 分子量: 299.716
• InChiKey: QSWCWEZCOFJLMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  74.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-(4-nitro-phenyl)-benzimidoyl chloride 在 一水合肼 作用下， 以 异丙醇 、 乙腈 为溶剂， 反应 1.5h， 生成 3-(4-chlorophenyl)-5-(4-nitrophenyl)-1H-pyrazole
  参考文献：
  名称：

  Ukhin, L. Yu.; Orlova, Zh. I.; Tokarskaya, O. A., Doklady Chemistry, 1986, vol. 288, p. 176 - 178

  摘要：

  DOI：

文献信息

• NEW DRUG FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES
  申请人：Giese Armin

  公开号：US20110293520A1

  公开（公告）日：2011-12-01

  The present invention relates to a compound represented by formula (E). The present invention also relates to a compound represented by the formula (E) for use in the treatment or prevention of diseases linked to protein aggregation and/or neurodegenerative diseases. Moreover, the present invention relates to pharmaceutical and diagnostic compositions comprising the compound of the invention as well as to a kit. Furthermore, the present invention relates to a method of imaging deposits of aggregated protein. A kit for preparing a detectably labelled compound of the present invention is also disclosed. Formula (E) wherein X, Y and L are independently nondirectionally selected from —C(R 1 )(R 2 )—, —C(R 3 )═, —N(R 4 )—, —N═, —N + (R 5 )═, —O— and —S—; M and Z are independently nondirectionally selected from formula (I) and formula (II).

  本发明涉及一种由公式（E）表示的化合物。本发明还涉及一种由公式（E）表示的化合物，用于治疗或预防与蛋白质聚集和/或神经退行性疾病相关的疾病。此外，本发明涉及包含本发明化合物的制药和诊断组合物，以及一种试剂盒。此外，本发明还涉及一种成像聚集蛋白沉积物的方法。还公开了一种用于制备可检测标记的本发明化合物的试剂盒。公式（E）中，X、Y和L分别独立地从—C（R1）（R2）—、—C（R3）═、—N（R4）—、—N═、—N+（R5）═、—O—和—S—中非定向选择；M和Z分别独立地从公式（I）和公式（II）中非定向选择。
• Drugs for inhibiting aggregation of proteins invoved in diseases linked to protein aggregation and/or neurodegenerative diseases
  申请人：Ludwig-Maximilians-Universität München

  公开号：EP2687513A1

  公开（公告）日：2014-01-22

  The present invention relates to a compound represented by formula (E). The present invention also relates to a compound represented by the formula (E) for use in the treatment or prevention of diseases linked to protein aggregation and/or neurodegenerative diseases. Moreover, the present invention relates to pharmaceutical and diagnostic compositions comprising the compound of the invention as well as to a kit. Furthermore, the present invention relates to a method of imaging deposits of aggregated protein. A kit for preparing a detectably labelled compound of the present invention is also disclosed.

  本发明涉及一种由式（E）代表的化合物。本发明还涉及一种由式（E）代表的化合物，用于治疗或预防与蛋白质聚集相关的疾病和/或神经退行性疾病。此外，本发明还涉及包含本发明化合物的药物和诊断组合物以及试剂盒。此外，本发明还涉及一种对聚集蛋白沉积物成像的方法。本发明还公开了一种用于制备可检测标记的本发明化合物的试剂盒。
• DRUGS FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES
  申请人：Ludwig-Maximilians-Universität München

  公开号：EP2684873A1

  公开（公告）日：2014-01-15

  The present invention relates to a compound represented by formula (E). The present invention also relates to a compound represented by the formula (E) for use in the treatment or prevention of diseases linked to protein aggregation and/or neurodegenerative diseases. Moreover, the present invention relates to pharmaceutical and diagnostic compositions comprising the compound of the invention as well as to a kit. Furthermore, the present invention relates to a method of imaging deposits of aggregated protein. A kit for preparing a detectably labelled compound of the present invention is also disclosed.

  本发明涉及一种由式（E）代表的化合物。本发明还涉及一种由式（E）代表的化合物，用于治疗或预防与蛋白质聚集相关的疾病和/或神经退行性疾病。此外，本发明还涉及包含本发明化合物的药物和诊断组合物以及试剂盒。此外，本发明还涉及一种对聚集蛋白沉积物成像的方法。本发明还公开了一种用于制备可检测标记的本发明化合物的试剂盒。
• [EN] 1,3,5-TRISUBSTITUTED PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION<br/>[FR] PYRAZOLES TRISUBSTITUES EN 1,3,5 POUR LE TRAITEMENT DE L'INFLAMMATION
  申请人：G.D. SEARLE & CO.

  公开号：WO1995015318A1

  公开（公告）日：1995-06-08

  (EN) A class of 1,3,5-substituted pyrazoles is described for the treatment of inflammation, including treatment of pain and disorders such as arthritis. Compounds of particular interest are of formula (I) wherein R1 is lower alkylsulfonyl or sulfamyl; wherein R2 is aryl or heteroaryl; wherein R2 is optionally substituted at a substitutable position with one or more radicals selected from halo, lower alkoxy, lower alkyl, nitro, lower alkylthio, amino, lower haloalkyl, hydroxyl, carboxyl, N-monoalkylamino, N,N-dialkylamino, cyano, alkoxycarbonyl and acylamino; wherein R3 is selected from hydrido, lower alkyl, lower haloalkyl, cyano, carboxyl, alkoxycarbonyl, amino, acyl, acylamino, halo and alkylsulfonylamino; wherein R4 is aryl or heteroaryl; wherein R4 is optionally substituted at a substitutable postion with one or more radicals selected from halo, lower alkoxy, lower alkyl, nitro, lower alkylthio, amino, lower haloalkyl, hydroxyl, carboxyl, N-monoalkylamino, N,N-dialkylamino, cyano, alkoxycarbonyl and acylamino; provided at least one or R2 and R4 cannot be phenyl or substituted triazole, when R1 is sulfamyl; further provided R2 cannot be 4-methoxyphenyl or 4-methylphenyl when R4 is 4-methoxyphenyl or 4-methylphenyl, and when R1 is sulfamyl; and further provided that R2 cannot be tetrazole when R4 is fluorophenyl, and when R1 is methylsulfonyl; or a pharmaceutically-acceptable salt thereof.(FR) L'invention porte sur une classe de pyrazoles substitués en 1,3,5 utilisés pour le traitement de l'inflammation, y compris le traitement de la douleur et de troubles tels que l'arthrite. Lesdits composés sont représentés par la formule (I), dans laquelle R1 représente alkylsulfonyle inférieur ou sulfamyle; R2 représente aryle ou hétéroaryle; R2 est éventuellement substitué en une position substituable avec un ou plusieurs radicaux choisis parmi halo, alcoxy inférieur, alkyle inférieur, nitro, alkylthio inférieur, amino, haloalkyle inférieur, hydroxyle, carboxyle, N-monoalkylamino, N,N-dialkylamino, cyano, alcoxycarbonyle et acylamino; R3 est choisi parmi hybrido, alkyle inférieur, haloalkyle inférieur, cyano, carboxyle, alcoxycarbonyle, amino, acyle, acylamino, halo et alkylsulfonylamino; R4 représente aryle ou hétéroaryle; R4 est éventuellement substitué en une position substituable avec un ou plusieurs radicaux choisis parmi halo, alcoxy inférieur, alkyle inférieur, nitro, alkylthio inférieur, amino, haloalkyle inférieur, hydroxyle, carboxyle, N-monoalkylamino, N,N-dialkylamino, cyano, alcoxycarbonyle et acylamino; à condition que R2 et/ou R4 ne puisse représenter phényle ou triazole substitué, lorsque R1 représente sulfamyle; et à condition que R2 ne puisse représenter 4-méthoxyphényle ou 4-méthylphényle lorsque R1 représente 4-méthoxyphényle ou 4-méthylphényle, et lorsque R1 représente sulfamyle; et à condition que R2 ne puisse représenter tétrazole lorsque R4 représente fluorophényle, et lorsque R1 représente méthylsulfonyle; ou l'invention porte sur un sel pharmaceutiquement acceptable de cette classe de composés.

  一种1,3,5-取代的吡azole类化合物的类别及其用途，用于治疗炎症（包括疼痛治疗和类风湿性关节炎等病症）。其中，兴趣在于具有以下公式的化合物(I)： - R1是下端烷基磺基或氨基基； - R2是苯基或杂苯基； - R2可能在可取代的位置上有一个或多个选择 radical，来自 halogen、下端醇基、下端烷基、nitro、下端硫化烷基、氨基、下端卤代烷基、羟基、羧基、N- monoalkylamino、N,N- dialkylamino、亚胺、醇酸碳氧基和acylamino； - R3是选自 hydrido、下端烷基、下端卤代烷基、亚胺、羧基、醇酸碳氧基、氨基、acyl、acylamino、卤基和下端烷基硫基； - R4是苯基或杂苯基； - R4可能在可取代的位置上有多个 radical，与 R2相同； - 当 R1是硫胺基时，R2和/或 R4至少不能是苯基或三唑取代基； - 当 R1是硫胺基时，进一步规定 R2不能是4-甲氧基苯基或4-甲基苯基，当且仅当 R4为 4-甲氧基苯基或4-甲基苯基； - 当 R1为甲基磺基时，进一步规定 R2不能是四azole基，当且仅当 R4是氟苯基； - 或该类化合物的 pharmaceutically-acceptable 盐。
• One-Pot Synthesis of 3,5-Diphenyl-1H-pyrazoles from Chalcones and Hydrazine under Mechanochemical Ball Milling
  作者：Ze Zhang、Ya-Jun Tan、Chun-Shan Wang、Hao-Hao Wu

  DOI：10.3987/com-13-12867

  日期：——

  A highly efficient and environmentally friendly method has been developed for facile synthesis of 3,5-diphenyl-1H-pyrazoles under mechanochemical ball-milling conditions. The advantages of short reaction time, high efficiency, no separation of in situ generated intermediate, using cheap sodium persulfate as the oxidant, together with very simple work-up procedure, make this one-pot and solvent-free protocol a green and powerful alternative to traditional methods for the synthesis of these kinds of compounds.