1-(4-chlorophenyl)-4-phenyl-2-(pyridin-4-yl)-butan-1,4-dione

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: 1-(4-chlorophenyl)-4-phenyl-2-(pyridin-4-yl)-butan-1,4-dione
• 英文别名: 1-(4-chlorophenyl)-4-phenyl-2-(4-pyridyl)-butan-1,4-dione；1-(4-Chlorophenyl)-4-phenyl-2-pyridin-4-ylbutane-1,4-dione
• 化学式: C₂₁H₁₆ClNO₂
• 分子量: 349.817
• InChiKey: JPROHXNITPSECY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  47
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4-chlorophenyl)-4-phenyl-2-(pyridin-4-yl)-butan-1,4-dione 在 ammonium acetate 、 溶剂黄146 作用下， 生成 4-[2-(4-Chloro-phenyl)-5-phenyl-1H-pyrrol-3-yl]-pyridine
  参考文献：
  名称：

  Pyrroles and other heterocycles as inhibitors of P38 kinase

  摘要：

  Investigation of furans, pyrroles and pyrazolones identified 3-pyridyl-2,5-diaryl-pyrroles as potent, orally bioavailable inhibitors of p38 kinase. 3-(4-pyridyl-2-(4-fluoro-phenyl)-5-(4-methylsulfinylphenyl)-pyrrole (L-167307) reduces secondary paw swelling in the rat adjuvant arthritis model: ID50 = 7.4 mg/kg/b.i.d. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00495-8
• 作为产物：
  描述：

  4-氯苯甲醛 、 (E)-1-phenyl-3-(pyridin-4-yl)prop-2-en-1-one 在 氰化钠 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1-(4-chlorophenyl)-4-phenyl-2-(pyridin-4-yl)-butan-1,4-dione
  参考文献：
  名称：

  Pyrroles and other heterocycles as inhibitors of P38 kinase

  摘要：

  Investigation of furans, pyrroles and pyrazolones identified 3-pyridyl-2,5-diaryl-pyrroles as potent, orally bioavailable inhibitors of p38 kinase. 3-(4-pyridyl-2-(4-fluoro-phenyl)-5-(4-methylsulfinylphenyl)-pyrrole (L-167307) reduces secondary paw swelling in the rat adjuvant arthritis model: ID50 = 7.4 mg/kg/b.i.d. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00495-8

文献信息

• [EN] 2,5-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE<br/>[FR] PYRROLES D'ARYLE SUBSTITUES EN POSITION 2 ET 5, COMPOSITIONS CONTENANT DE TELS COMPOSES ET LEURS MODES D'UTILISATION
  申请人：MERCK & CO., INC.

  公开号：WO1997005878A1

  公开（公告）日：1997-02-20

  (EN) The present invention addresses 2,5-substituted aryl pyrroles of formula (I); or pharmaceutically acceptable salts thereof, as well as compositions containing such compounds and methods of treatment. The compounds are useful for treating Cytokine mediated diseases, which refers to diseases or conditions in which excessive or unregulated production or activity of one or more cytokines occurs. Interleukin-1(IL-1), Interleukin-6 (IL-6), Interleukin-8 (IL-8) and Tumor Necrosis Factor (TNF) are cytokines which are involved in immunoregulation and other physiological conditions, such as inflammation. The compounds also have glucagon antagonist activity.(FR) L'invention se rapporte à des pyrroles d'aryle substitués en position 2 et 5 correspondant à la formule (I) ou à un de leurs sels pharmaceutiquement acceptables, ainsi qu'à des compositions contenant de tels composés et à leurs modes d'utilisation. Les composés sont utiles dans le traitement des maladies induites par les cytokines, qui sont des maladies ou des pathologies dans lesquelles la production ou l'activité d'une ou de plusieurs cytokines est excessive ou non régulée. L'interleukine-1 (IL-1), l'interleukine-6 (IL-6), l'interleukine-8 (IL-8) et le facteur de nécrose tumorale (TNF) figurent parmi les cytokines qui interviennent dans l'immunomodulation et dans d'autres processus physiologiques, tels que l'inflammation. Lesdits composés ont également une activité antagoniste vis-à-vis du glucagon.

  (中) 本发明涉及式(I)的2,5-取代芳基吡咯或其药学上可接受的盐，以及含有这种化合物的组合物和治疗方法。该化合物可用于治疗细胞因子介导的疾病，这指的是一种或多种细胞因子的过度或不受调节的产生或活性所导致的疾病或情况。白细胞介素1(IL-1)、白细胞介素6(IL-6)、白细胞介素8(IL-8)和肿瘤坏死因子(TNF)是参与免疫调节和其他生理状况，如炎症的细胞因子。该化合物还具有胰高血糖素拮抗活性。
• US5837719A
  申请人：——

  公开号：US5837719A

  公开（公告）日：1998-11-17
• Pyrroles and other heterocycles as inhibitors of P38 kinase
  作者：Stephen E. de Laszlo、Denise Visco、Lily Agarwal、Linda Chang、Jayne Chin、Gist Croft、Amy Forsyth、Daniel Fletcher、Betsy Frantz、Candice Hacker、William Hanlon、Coral Harper、Matthew Kostura、Bing Li、Sylvie Luell、Malcolm MacCoss、Nathan Mantlo、Edward A. O'Neill、Chad Orevillo、Margaret Pang、Janey Parsons、Anna Rolando、Yousif Sahly、Kelley Sidler、W.Rick Widmer、Stephen J. O'Keefe

  DOI：10.1016/s0960-894x(98)00495-8

  日期：1998.10

  Investigation of furans, pyrroles and pyrazolones identified 3-pyridyl-2,5-diaryl-pyrroles as potent, orally bioavailable inhibitors of p38 kinase. 3-(4-pyridyl-2-(4-fluoro-phenyl)-5-(4-methylsulfinylphenyl)-pyrrole (L-167307) reduces secondary paw swelling in the rat adjuvant arthritis model: ID50 = 7.4 mg/kg/b.i.d. (C) 1998 Elsevier Science Ltd. All rights reserved.