(3-氯苯)(吡啶-3-基)甲酮 | 62247-00-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: (3-氯苯)(吡啶-3-基)甲酮
• 英文名称: (3-chlorophenyl)(pyridin-3-yl)methanone
• 英文别名: 3-Chlorphenyl-3-pyridyl-keton；(3-chlorophenyl)-pyridin-3-ylmethanone
• CAS: 62247-00-1
• 化学式: C₁₂H₈ClNO
• mdl: MFCD01108847
• 分子量: 217.655
• InChiKey: MDGKXQYPOIIMHW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  30
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  (3-氯苯)(吡啶-3-基)甲酮 在 sodium dithionite 、 碳酸氢钠 作用下， 以 二氯甲烷 、 水 为溶剂， 生成
  参考文献：
  名称：

  通过级联异构化/螺环化/脱芳香化反应对螺二氢吲哚的对映选择性合成。

  摘要：

  具有2,7-二氮杂螺[4.4]壬烷的螺二氢吲哚骨架存在于各种结构复杂且具有生物活性的单萜吲哚生物碱中。开发了一种催化不对称的级联烯胺异构化/螺环化/脱芳香化序列以构建螺二氢吲哚，该化合物在手性磷酸的催化下，以吲哚基二氢吡啶为底物。该级联反应以非对映选择性和对映体选择性的方式提供了各种螺二氢吲哚。

  DOI：

  10.1021/acs.orglett.0c00181
• 作为产物：
  描述：

  (3-chlorophenyl)(pyridin-3-yl)methanol 在 manganese(IV) oxide 作用下， 以 二氯甲烷 为溶剂， 反应 264.0h， 以78%的产率得到(3-氯苯)(吡啶-3-基)甲酮
  参考文献：
  名称：

  Chlorpheniramine Analogues Reverse Chloroquine Resistance in Plasmodium falciparum by Inhibiting PfCRT

  摘要：

  The emergence and spread of malaria parasites that are resistant to chloroquine (CQ) has been a disaster for world health. The antihistamine chlorpheniramine (CP) partially resensitizes CQ-resistant (CQR) parasites to CQ but possesses little intrinsic antiplasmodial activity. Mutations in the parasite's CQ resistance transporter (PfCRT) confer resistance to CQ by enabling the protein to transport the drug away from its site of action, and it is thought that resistance-reversers such as CP exert their effect by blocking this CQ transport activity. Here, a series of new structural analogues and homologues of CP have been synthesized. We show that these compounds (along with other in vitro CQ resistance-reversers) inhibit the transport of CQ via a resistance-conferring form of PfCRT expressed in Xenopus laevis oocytes. Furthermore, the level of PfCRT-inhibition was found to correlate well with both the restoration of CQ accumulation and the level of CQ resensitization in CQR parasites.

  DOI：

  10.1021/ml5000228

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。
• QUINOLINYL MODULATORS OF RORyt
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：US20150111870A1

  公开（公告）日：2015-04-23

  The present invention comprises compounds of Formula I. wherein: R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , and R 9 are defined in the specification. The invention also comprises a method of treating or ameliorating a syndrome, disorder or disease, wherein said syndrome, disorder or disease is rheumatoid arthritis or psoriasis. The invention also comprises a method of modulating RORγt activity in a mammal by administration of a therapeutically effective amount of at least one compound of claim 1.

  本发明涵盖了式I的化合物。 其中： R1、R2、R3、R4、R5、R6、R7、R8和R9在规范中有定义。 该发明还涵盖了一种治疗或改善综合症、疾病或疾病的方法，其中所述的综合症、疾病或疾病是类风湿性关节炎或牛皮癣。该发明还涵盖了通过给哺乳动物施用至少一种权利要求1中的化合物的治疗有效量来调节RORγt活性的方法。
• Palladium-N-heterocyclic carbene an efficient catalytic system for the carbonylative cross-coupling of pyridine halides with boronic acids
  作者：Eddy Maerten、Mathieu Sauthier、André Mortreux、Yves Castanet

  DOI：10.1016/j.tet.2006.11.008

  日期：2007.1

  Carbonylative cross-coupling of different pyridyl halides with various boronic acids was studied using catalytic systems constituted of N-heterocyclic carbene type ligands and palladium. These systems easily obtained in situ from the corresponding imidazolium salt and palladium acetate appear more efficient toward bromopyridines than catalysts based on hindered and basic alkylphosphines such as tricyclohexylphosphine

  使用由N-杂环卡宾型配体和钯组成的催化体系，研究了不同的吡啶基卤化物与各种硼酸的羰基化交叉偶联。从相应的咪唑鎓盐和乙酸钯就地获得的这些体系，对溴代吡啶的作用似乎比基于受阻和碱性烷基膦（例如三环己基膦）的催化剂更有效。通过使用实际上不与基于膦的催化体系反应的氯或二氯吡啶和氯喹啉偶联，也证明了它们较高的效率。
• HETEROARYL LINKED QUINOLINYL MODULATORS OF RORyt
  申请人：Janssen Pharmaceutica NV

  公开号：US20140107097A1

  公开（公告）日：2014-04-17

  The present invention comprises compounds of Formula I. wherein: R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , and R 9 are defined in the specification. The invention also comprises a method of treating or ameliorating a syndrome, disorder or disease, wherein said syndrome, disorder or disease is rheumatoid arthritis or psoriasis. The invention also comprises a method of modulating RORγt activity in a mammal by administration of a therapeutically effective amount of at least one compound of claim 1.

  本发明涵盖了Formula I的化合物，其中：R1、R2、R3、R4、R5、R6、R7、R8和R9在规范中定义。该发明还涵盖了一种治疗或改善综合征、疾病或疾病的方法，其中所述综合征、疾病或疾病为类风湿性关节炎或银屑病。该发明还涵盖了通过给哺乳动物施用至少一种权利要求1中的化合物的治疗有效量来调节RORγt活性的方法。
• METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt
  申请人：Janssen Pharmaceutica NV

  公开号：US20140107094A1

  公开（公告）日：2014-04-17

  The present invention comprises compounds of Formula I. wherein: R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , and R 9 are defined in the specification. The invention also comprises a method of treating or ameliorating a syndrome, disorder or disease, wherein said syndrome, disorder or disease is rheumatoid arthritis or psoriasis. The invention also comprises a method of modulating RORγt activity in a mammal by administration of a therapeutically effective amount of at least one compound of claim 1.

  本发明包括以下式的化合物：其中：R1、R2、R3、R4、R5、R6、R7、R8和R9在规范中定义。该发明还包括一种治疗或改善综合症、疾病或疾病的方法，其中所述综合症、疾病或疾病是类风湿性关节炎或牛皮癣。该发明还包括通过给哺乳动物施用至少一种权利要求1中的化合物的治疗有效量来调节RORγt活性的方法。