(2-chlorophenyl)(4-chlorophenyl)pyridin-3-yl methanol | 29957-28-6

• 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: (2-chlorophenyl)(4-chlorophenyl)pyridin-3-yl methanol
• 英文别名: (4-Chloro-phenyl)-(2-chloro-phenyl)-pyridin-3-yl-methanol: (Hydrochloride)；(2-chlorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol
• CAS: 29957-28-6
• 化学式: C₁₈H₁₃Cl₂NO
• 分子量: 330.213
• InChiKey: AKDCDVNDPAZRSM-UHFFFAOYSA-N

物化性质

• 沸点：
  492.7±40.0 °C(Predicted)
• 密度：
  1.334±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  33.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (2-chlorophenyl)(4-chlorophenyl)pyridin-3-yl methanol 在 氯化亚砜 、 sodium 作用下， 以 甲苯 为溶剂， 反应 50.0h， 生成 3-[methoxy(2-chlorophenyl)(4-chlorophenyl)methyl]pyridine
  参考文献：
  名称：

  Analogues of Fenarimol Are Potent Inhibitors of Trypanosoma cruzi and Are Efficacious in a Murine Model of Chagas Disease

  摘要：

  We report the discovery of nontoxic fungicide fenarimol (1) as an inhibitor of Trypanosoma cruzi (T. cruzi), the causative agent of Chagas disease, and the results of structure-activity investigations leading to potent analogues with low nM IC(50)s in a T. cruzi whole cell in vitro assay. Lead compounds suppressed blood parasitemia to virtually undetectable levels after once daily oral dosing in mouse models of T. cruzi infection. Compounds are chemically tractable, allowing rapid optimization of target biological activity and drug characteristics. Chemical and biological studies undertaken in the development of the fenarimol series toward the goal of delivering a new drug candidate for Chagas disease are reported.

  DOI：

  10.1021/jm2015809
• 作为产物：
  描述：

  邻氯苯甲酰氯 在 aluminum (III) chloride 、 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 生成 (2-chlorophenyl)(4-chlorophenyl)pyridin-3-yl methanol
  参考文献：
  名称：

  Analogues of Fenarimol Are Potent Inhibitors of Trypanosoma cruzi and Are Efficacious in a Murine Model of Chagas Disease

  摘要：

  We report the discovery of nontoxic fungicide fenarimol (1) as an inhibitor of Trypanosoma cruzi (T. cruzi), the causative agent of Chagas disease, and the results of structure-activity investigations leading to potent analogues with low nM IC(50)s in a T. cruzi whole cell in vitro assay. Lead compounds suppressed blood parasitemia to virtually undetectable levels after once daily oral dosing in mouse models of T. cruzi infection. Compounds are chemically tractable, allowing rapid optimization of target biological activity and drug characteristics. Chemical and biological studies undertaken in the development of the fenarimol series toward the goal of delivering a new drug candidate for Chagas disease are reported.

  DOI：

  10.1021/jm2015809

文献信息

• Estrogen synthetase inhibitors. 2. Comparison of the in vitro aromatase inhibitory activity for a variety of nitrogen heterocycles substituted with diarylmethane or diarylmethanol groups
  作者：C. David Jones、Mark A. Winter、Kenneth S. Hirsch、Nancy Stamm、Harold M. Taylor、Howard E. Holden、James D. Davenport、Eriks V. Krumkalns、Robert G. Suhr

  DOI：10.1021/jm00163a065

  日期：1990.1

  The preparation and in vitro aromatase inhibitory activity of a wide variety of heterocyclic (4,4'-dichlorodiphenyl)methanes and -methanols are described. The choice of the two diaryl-bearing moieties as a vehicle for the evaluation of the heterocycles was made by the comparison of series of imidazole and pyridine-derived compounds with similar pyrimidine compounds reported previously. A structural

  描述了多种杂环（4,4'-二氯二苯基）甲烷和-甲醇的制备和体外芳香酶抑制活性。通过将一系列咪唑和吡啶衍生的化合物与先前报道的类似嘧啶化合物进行比较，从而选择了两个带有二芳基的部分作为评估杂环的载体。还介绍了活性最高的化合物的结构模型。发现包含两个杂环部分的一系列相关化合物的活性与模型一致。评估的许多化合物（包括吡啶，咪唑，嘧啶，吡唑，三唑，噻唑和异噻唑类的代表）在低纳摩尔浓度下均具有EC50抑制芳香酶的能力。
• Agricultural chemical composition
  申请人：KAO CORPORATION

  公开号：EP0638236A1

  公开（公告）日：1995-02-15

  A method for enhancing the effectiveness of an agricultural chemical which comprises incorporating a specific enhancer into a diluted solution of the agricultural chemical. The specific enhancer is a quaternary ammonium salt or a tertiary amine or a salt thereof containing one or more carboxylic acid ester or amide groups, at least one long chain alkyl or alkenyl group and optionally also ether groups.

  一种增强农用化学品功效的方法，包括在农用化学品的稀释溶液中加入特定的增强剂。 特异性增强剂是一种季铵盐或叔胺或其盐类，含有一个或多个羧酸酯或酰胺基团、至少一个长链烷基或烯基，还可以是醚基。
• Method for enhancing the efficacy of agricultural chemicals, adjuvant composition for agricultural chemicals and agricultural chemical composition
  申请人：Kao Corporation

  公开号：EP0702897A1

  公开（公告）日：1996-03-27

  The efficacy of an agricultural chemical is enhanced by using a cellulase having an avicelase activity and a CMCase activity and a unit ratio of the avicelase activity to the CMCase activity of at least 0.15, which is safely usable for crops, together with the agricultural chemical.

  将一种具有阿维菌素酶活性和 CMC 酶活性，且阿维菌素酶活性与 CMC 酶活性的单位比至少为 0.15，可安全用于农作物的纤维素酶与农用化学品一起使用，可提高农用化学品的功效。
• Fungicidal oxazolidinones
  申请人：E.I. DU PONT DE NEMOURS AND COMPANY

  公开号：EP0393911B1

  公开（公告）日：1994-08-31
• ENHANCER COMPOSITION FOR AGRICULTURAL CHEMICALS AND AGRICULTURAL CHEMICAL COMPOSITION
  申请人：Kao Corporation

  公开号：EP0685995A1

  公开（公告）日：1995-12-13