3-Methyl-2-nitrobenzoate

• 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: 3-Methyl-2-nitrobenzoate
• 化学式: C8H6NO4-
• 分子量: 180.14
• InChiKey: DGDAVTPQCQXLGU-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  86
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• [EN] AMIDE DERIVATIVES AS SIRTUIN MODULATORS<br/>[FR] DÉRIVÉS D'AMIDE COMME MODULATEURS DE SIRTUINES
  申请人：SIRTRIS PHARMACEUTICALS INC

  公开号：WO2009058348A1

  公开（公告）日：2009-05-07

  Provided herein are novel sirtuin-modulating compounds represented by Structural Formula (I) and methods of use thereof. The sirtuin-modulating compounds may be used for increasing the lifespan of a cell, and treating and/or preventing a wide variety of diseases and disorders including, for example, diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting disorders, inflammation, cancer, and/or flushing as well as diseases or disorders that would benfit from increased mitochondrial activity. Also provided are compositions comprising a sirtuin- modulating compound in combination with another therapeutic agent.

  提供的是由结构公式（I）表示的新的sirtuin调节化合物及其用途。sirtuin调节化合物可用于延长细胞寿命，以及治疗和/或预防多种疾病和紊乱，例如与衰老或压力、糖尿病、肥胖、神经退行性疾病、心血管疾病、凝血障碍、炎症、癌症和/或潮红相关的疾病或紊乱，以及将从增加线粒体活性中受益的疾病或紊乱。还提供了包含sirtuin调节化合物与另一种治疗剂的组合的药物组合物。
• 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。
• Colorant compounds
  申请人：Banning H. Jeffrey

  公开号：US20060020141A1

  公开（公告）日：2006-01-26

  Compounds of the formula wherein M is either (1) a metal ion having a positive charge of +y wherein y is an integer which is at least 2, said metal ion being capable of forming a compound with at least two chromogen moieties, or (2) a metal-containing moiety capable of forming a compound with at least two chromogen moieties, z is an integer representing the number of chromogen moieties associated with the metal and is at least 2, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , a, b, c, d, Y, and z are as defined herein, Q − is a COO − group or a SO 3 — group, A is an organic anion, and CA is either a hydrogen atom or a cation associated with all but one of the Q − groups.

  式中的化合物，其中M是一个带有正电荷+y的金属离子，其中y是至少为2的整数，该金属离子能够与至少两个色团基团形成化合物，或者M是一个含金属基团的基团，能够与至少两个色团基团形成化合物，z是表示与金属相关的色团基团数量的整数，至少为2，R1、R2、R3、R4、R5、R6、R7、a、b、c、d、Y和z的定义如上所述，Q-是一个COO-基团或SO3-基团，A是一个有机阴离子，CA是一个氢原子或与除一个Q-基团之外的所有Q-基团相关联的阳离子。
• POLYMER SUPPORTED REAGENTS AND METHODS OR REDUCING AROMATIC NITRO COMPOUNDS BY USING THE SAME
  申请人：Han Yang-Kyoo

  公开号：US20130253083A1

  公开（公告）日：2013-09-26

  The present invention relates to a polymer supported reagent comprising a novel crosslinked mesoporous polymer, enabling a simple and easy production of an azoxy compound or an azo compound from an aromatic nitro compound, and a method of selectively reducing an aromatic nitro compound by using the same. The polymer supported reagent comprises a certain acrylamide mesoporous crosslinked polymer.

  本发明涉及一种聚合物支持试剂，包括一种新型的交联介孔聚合物，使得可以从芳香族硝基化合物简单易行地制备出偶氮氧化合物或偶氮化合物，并且提供了一种使用该聚合物支持试剂选择性还原芳香族硝基化合物的方法。该聚合物支持试剂包括一种特定的丙烯酰胺介孔交联聚合物。
• Process for producing(2-nitrophenyl)acetonitrile derivative and intermediate therefor
  申请人：——

  公开号：US20040199002A1

  公开（公告）日：2004-10-07

  The present invention lies in a process for producing a compound represented by the following formula [IV], which comprises the following steps (1) to (3), as well as in an intermediate therefor. (1) A step which comprises reacting a compound represented by the following formula [I] with a compound represented by the following formula [VI] or with a mixture of a compound represented by the following formula [VII] and a compound represented by the following formula [VIII] to obtain a compound represented by the following formula [IX], and hydrolyzing the compound represented by the formula [IX] under acidic conditions to obtain a compound represented by the following formula [II]. (2) A step which comprises reacting the compound represented by the formula [II] with hydroxylamine to obtain a compound represented by the following formula [III]. (3) A step which comprises dehydrating the compound represented by the formula [III] to obtain a compound represented by the formula [IV]. 1 (R 1 )(R 2 )N—CH(OR 3 )(OR 4 )   [VI] (CH 3 ) 2 N—CH(OCH 3 ) 2 [VII] (R 1 )(R 2 )NH   [VIII] 2

  本发明涉及一种制备以下化合物的方法，该化合物由以下公式（IV）表示，包括以下步骤（1）至（3），以及其中间体。 （1）一步骤包括将以下公式（I）表示的化合物与以下公式（VI）表示的化合物或以下公式（VII）表示的化合物和以下公式（VIII）表示的化合物的混合物反应，以得到以下公式（IX）表示的化合物，并在酸性条件下水解公式（IX）表示的化合物，以得到以下公式（II）表示的化合物。 （2）一步骤包括将公式（II）表示的化合物与羟胺反应，以得到以下公式（III）表示的化合物。 （3）一步骤包括脱水公式（III）表示的化合物，以得到以下公式（IV）表示的化合物。 1（R1）（R2）N—CH（OR3）（OR4）  [VI]（CH3）2N—CH（OCH3）2  [VII]（R1）（R2）NH  [VIII]