1-(5-氨基-2-甲基苯基)乙酮 | 22241-00-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(5-氨基-2-甲基苯基)乙酮
• 英文名称: 3-acetyl-4-methylaniline
• 英文别名: 1-(5-Amino-2-methylphenyl)ethanone
• CAS: 22241-00-5
• 化学式: C₉H₁₁NO
• mdl: MFCD19204668
• 分子量: 149.192
• InChiKey: AIQBRIXHBHSDMG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(5-氨基-2-甲基苯基)乙酮 在 sodium hydroxide 、 一水合肼 作用下， 以 二乙二醇 为溶剂， 反应 4.0h， 生成 3-乙基-4-甲基苯胺
  参考文献：
  名称：

  Quantitative structure-activity relationships of 6-anilinouracils as inhibitors of Bacillus subtilis DNA polymerase III

  摘要：

  Quantitative structure-activity relationships (QSAR) of a series of 6-anilinouracil derivatives were developed for their inhibitory activity against the wild-type DNA polymerase III (pol III) and a mutant enzyme, pol III/azp-12, derived from Bacillus subtilis. Interaction between inhibitors and both enzymes appears to result solely from hydrophobic binding. Comparison of the substituent contributions indicates increased hydrophobic character and a minor change of shape of the inhibitor binding site of the mutant enzyme. Because the two enzymes have identical Km values for substrates, the inhibitor binding site is thought to be distinct from the enzyme active site.

  DOI：

  10.1021/jm00368a013

文献信息

• [EN] METHODS FOR INHIBITING NECROPTOSIS<br/>[FR] MÉTHODES POUR INHIBER LA NÉCROPTOSE
  申请人：CATALYST THERAPEUTICS PTY LTD

  公开号：WO2015172203A1

  公开（公告）日：2015-11-19

  The present invention relates to methods for inhibiting necroptosis; screening methods for identifying compounds which inhibit necroptosis; and compounds for the inhibition of necroptosis, which may be useful in the treatment of conditions associated with deregulated necroptosis.

  本发明涉及抑制坏死程序的方法；用于识别抑制坏死程序的化合物的筛选方法；以及用于抑制坏死程序的化合物，可能在治疗与失调坏死程序相关的疾病中有用。
• [EN] 1-PHENYLPYRROLE COMPOUNDS<br/>[FR] 1-PHÉNYLPYRROLES
  申请人：EXELIXIS INC

  公开号：WO2010042626A1

  公开（公告）日：2010-04-15

  The present invention comprises a compound for the prevention and/or treatment of cardiovascular diseases, nephropathy, fibrosis, primary aldosteronism or edema. The compound is of the following general formula (I): wherein R1 represents a C1 -C3 alkyl group; R2 represents a hydroxy -C1 -C4 alkyl group and the like; R3 represents a halogeno group, a halogeno-C1 -C3 alkyl group and the like; R4 represents a hydrogen atom, a halogeno group and the like,- R5 represents a sulfamoyl group or a C1-C3 alkylsulf onyl group; R6 represents a hydrogen atom, a halogeno group and the like] or an N-oxide, atropisomer of the foregoing, or pharmaceutically acceptable salt of the foregoing.

  本发明涉及一种用于预防和/或治疗心血管疾病、肾病、纤维化、原发性醛固酮分泌亢进或水肿的化合物。该化合物具有以下一般式（I）：其中R1代表C1-C3烷基基团；R2代表一个羟基-C1-C4烷基基团等；R3代表一个卤素基团，一个卤素-C1-C3烷基基团等；R4代表一个氢原子，一个卤素基团等；R5代表一个磺胺基团或一个C1-C3烷基磺酰基团；R6代表一个氢原子，一个卤素基团等，或者上述化合物的N-氧化物、旋光异构体或上述化合物的药用可接受的盐。
• [EN] INHIBITORS OF THE MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1<br/>[FR] INHIBITEURS DE LA PROSTAGLANDINE E2 SYNTHASE-1 MICROSOMALE
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2011048004A1

  公开（公告）日：2011-04-28

  This invention relates to compounds of formula I, their use as inhibitors of the microsomal prostaglandin E2 synthase-1 (mPGES-1), pharmaceutical compositions containing them, and their use as medicaments for the treatment and/or prevention of inflammatory diseases and associated conditions such as inflammatory/nociceptive pain. A, M, R1, R2, R7' Ra, Rb, Q3, Q4, Q6, Z2, Z4, Z5, Z6 and W have meanings given in the description.

  本发明涉及公式I的化合物，其用作微粒体前列腺素E2合酶-1（mPGES-1）的抑制剂，含有这些化合物的药物组合物，以及它们作为治疗和/或预防炎症性疾病及相关症状（如炎症性/疼痛性疼痛）的药物的用途。A、M、R1、R2、R7'、Ra、Rb、Q3、Q4、Q6、Z2、Z4、Z5、Z6和W在说明中有定义。
• [EN] QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF<br/>[FR] DÉRIVÉS DE QUINAZOLINONES POUR LE TRAITEMENT DE LA STÉATOSE HÉPATIQUE NON ALCOOLIQUE, LEUR PRÉPARATION ET LEUR UTILISATION
  申请人：COUNCIL SCIENT IND RES

  公开号：WO2022003712A1

  公开（公告）日：2022-01-06

  The present invention described herein relates to a compound having Structure I for treating diseases and disorders for which inhibition or modulation of the Ubiquitin Ligase COP1 enzyme produces a physiologically beneficial response, in particular for the treatment of Non-Alcoholic Fatty Liver Disease (NAFLD). These compounds having Structure I arecapable of increasing the level of adipose triglyceride lipase (ATGL). Also provided is the process of preparing compounds having Structure I.

  本发明描述了一种具有结构I的化合物，用于治疗通过抑制或调节泛素连接酶COP1酶产生生理上有益反应的疾病和紊乱，特别是用于治疗非酒精性脂肪肝病（NAFLD）。这些具有结构I的化合物能够增加脂肪三酸甘油酯脂解酶（ATGL）的水平。还提供了制备具有结构I的化合物的方法。
• Bis(3,4-methylenedioxyphenylamino) derivatives and electrophotographic photoreceptor containing the derivatives
  申请人：Takasago International Corporation

  公开号：US06228547B1

  公开（公告）日：2001-05-08

  Disclosed are novel compounds useful in electrophotographic photoreceptors as charge-transporting materials having good miscibility with binder polymers and capable of forming a thin stable organic film having a high concentration; and an electrophotographic photoreceptor containing the same. The compounds are bis(3,4-methylenedioxyphenylamino) derivatives represented by general formula (1): wherein Ar1 and Ar2 each is an optionally substituted aryl group and Ar3 is a phenylene group or an optionally substituted biphenylene group.

  本发明涉及一种新型化合物，可用作电子照相感光体中的电荷传输材料，具有良好的与粘合剂聚合物混溶性，并能形成高浓度的稳定有机薄膜;以及包含该化合物的电子照相感光体。该化合物是由一般式（1）表示的双（3,4-二甲氧基苯基氨基）衍生物，其中Ar1和Ar2分别是可选取代的芳基基团，而Ar3是苯基团或可选取代的联苯基团。