2-Amino-5-methoxy-4-methyl-benzoesaeure | 90972-30-8

• 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-Amino-5-methoxy-4-methyl-benzoesaeure
• 英文别名: 2-amino-5-methoxy-4-methyl-benzoic acid；5-methoxy-4-methylanthranilic acid；2-Amino-5-methoxy-4-methylbenzoic acid
• CAS: 90972-30-8
• 化学式: C₉H₁₁NO₃
• 分子量: 181.191
• InChiKey: ALKNPNFSCRLOBJ-UHFFFAOYSA-N

物化性质

• 熔点：
  202 °C (decomp)(Solv: ethanol (64-17-5))
• 沸点：
  359.4±42.0 °C(Predicted)
• 密度：
  1.253±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  72.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Amino-5-methoxy-4-methyl-benzoesaeure 在 乙醚 作用下， 以 氢碘酸 为溶剂， 反应 36.0h， 以to yield 2-amino-5-hydroxy-4-methylbenzoic acid (INTERMEDIATE V.1) (2.5 g, 14.9 mmol 100%)的产率得到2-amino-5-hydroxy-4-methylbenzoic acid
  参考文献：
  名称：

  2-(4-oxo-4H-quinazolin-3-yl)acetamides and their use as vasopressin V3 antagonists

  摘要：

  本发明涉及式(I)的2-(4-氧代-4H-喹唑啉-3-基)乙酰胺类衍生物，以及它们作为抗利尿激素V3拮抗剂的用途，特别是用于治疗抑郁症。

  公开号：

  US07807686B2
• 作为产物：
  描述：

  5-methoxy-6-methyl-indoline-2,3-dione 在 sodium hydroxide 、 双氧水 、 硫酸 作用下， 以 水 为溶剂， 反应 1.5h， 以61%的产率得到2-Amino-5-methoxy-4-methyl-benzoesaeure
  参考文献：
  名称：

  WO2006/95014

  摘要：

  公开号：

文献信息

• [EN] FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF<br/>[FR] DERIVES DE LA PYRIMIDIN-4(3H)-ONE A CYCLES FUSIONNES, SPN PROCEDE DE PREPARATION ET SES UTILISATIONS
  申请人：SANKYO CO

  公开号：WO2003106435A1

  公开（公告）日：2003-12-24

  AbstractNovel compounds of the following formula (I) and pharmacologically acceptable salt and esters thereof can modulate LXR function and as a result show excellent anti-arteriosclerotic and anti-inflammatory activity:wherein:A represents aryl or heteroaryl;R1, R2 and R3 are the same or different and each represents hydrogen, hydroxyl, nitro, cyano, amino, halogen, carboxy, carbamoyl, mercapto, alkyl, haloalkyl, alkylcarbonyloxy, alkoxy, alkylthio, alkylsulfinyl, alkylsulfonyl, alkylamino, dialkylamino, alkylcarbonylamino, N-(alkylcarbonyl)-N-(alkyl)amino, alkoxycarbonylamino, N-(alkoxycarbonyl)-N-(alkyl)amino, alkylsulfonylamino, N-(alkylsulfonyl)-N-(alkyl)amino, haloalkylsulfonylamino, N-(haloalkylsulfonyl)-N-(alkyl)amino, alkylcarbonyl, alkoxycarbonyl, alkylaminocarbonyl or dialkylaminocarbonyl group, or R1 and R2 together are alkylenedioxy;R4 and R5 are the same or different and each represents hydrogen, hydroxyl, amino, halogen, mercapto, alkyl, haloalkyl, alkoxy, alkoxycarbonyl or alkylthio;X represents hydrogen, hydroxyl, halogen, alkoxy or haloalkoxy; andY represents an optionally substituted alkyl, cycloalkyl, heterocyclyl, aryl, cycloalkylalkyl, heterocyclylalkyl or aralkyl group.

  新化合物具有以下式（I）的结构，其药学上可接受的盐和酯可以调节LXR功能，从而表现出优秀的抗动脉粥样硬化和抗炎活性：其中：A代表芳基或杂环芳基；R1、R2和R3相同或不同，每个代表氢、羟基、硝基、氰基、氨基、卤素、羧基、氨基甲酰基、巯基、烷基、卤代烷基、烷基羰氧基、烷氧基、烷硫基、烷磺基、烷基氨基、二烷基氨基、烷基羰基氨基、N-（烷基羰基）-N-（烷基）氨基、烷氧羰基氨基、N-（烷氧羰基）-N-（烷基）氨基、烷磺酰氨基、N-（烷磺酰基）-N-（烷基）氨基、卤代烷基磺酰氨基、N-（卤代烷基磺酰基）-N-（烷基）氨基、烷基羰基、烷氧羰基、烷基氨基羰基或二烷基氨基羰基，或R1和R2一起是亚烷二氧基；R4和R5相同或不同，每个代表氢、羟基、氨基、卤素、巯基、烷基、卤代烷基、烷氧基、烷氧羰基或烷硫基；X代表氢、羟基、卤素、烷氧基或卤代烷氧基；Y代表可选择取代的烷基、环烷基、杂环烷基、芳基、环烷基烷基、杂环烷基烷基或芳基烷基。
• [EN] NOVEL BENZYLAMINO SUBSTITUTED QUINAZOLINES AND DERIVATIVES AS SOS1 INHIBITORS<br/>[FR] NOUVELLES QUINAZOLINES À SUBSTITUTION BENZYLAMINO ET LEURS DÉRIVÉS EN TANT QU'INHIBITEURS DE SOS1
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2018115380A1

  公开（公告）日：2018-06-28

  The present invention encompasses compounds of formula (I), wherein the groups R1 to R7 have the meanings given in the claims and specification, their use as inhibitors of SOS1, pharmaceutical compositions which contain compounds of this kind and their use as medicaments/medical uses, especially as agents for treatment and/or prevention of oncological diseases.

  本发明涵盖了式（I）的化合物，其中基团R1至R7具有权利要求和说明中给定的含义，它们作为SOS1的抑制剂的用途，包含这种化合物的药物组合物以及它们作为药物/医疗用途的用途，特别是作为治疗和/或预防肿瘤疾病的药剂。
• 2-(4-Oxo-4H-Quinazolin-3-Yl) Acetamides and Their Use as Vasopressin V3 Antagonists
  申请人：Letourneau Jeffrey

  公开号：US20080214553A1

  公开（公告）日：2008-09-04

  The present invention relates to 2-(4-oxo4H-quinazolin-3-yl)acetamicle derivatives of formula (I), and to their use as vasopressin V3 antagonists, particularly for the treatment of depression.

  本发明涉及公式（I）的2-（4-氧代4H-喹唑啉-3-基）乙酰胺衍生物，以及它们作为利尿激素V3拮抗剂的用途，特别是用于治疗抑郁症。
• Quinolones having antihypertensive activity
  申请人：The Boots Company PLC

  公开号：EP0206616A2

  公开（公告）日：1986-12-30

  Quinolines with antihypertensive activity have the general formula 1, wherein X is the residue of an optionally substituted benzene ring; R is lower alkyl; R3 is hydrogen or lower alkyl; R1 and R2, which may be the same or different, are hydrogen, lower alkyl, or, together with the nitrogen atom to which they are attached, form a 5 to 7 membered saturated heterocyclic ring optionally containing an additional hetero atom selected from nitrogen, oxygen and sulphur and optionally substituted by 1 or more lower alkyl groups; and the dotted line between positions 2 and 3 of the quinolone nucleus represents an optional bond. The compounds are useful as antihypertensive agents. They are also indicated for use in treating heart failure and ischaemic heart disease. With the exception of the three compounds 1-methyl-4--oxo-1,4-dihydroquinoline-3-sulphonamide, 1,N-dimethyl-4--oxo-1,4-dihydroquinoline-3-sulphonamide and 6,7-dimeth- oxyl-methyl-4-oxo-1,4-dihydroquinoline-3-sulphonamide, the quinolones of formula I are novel. Pharmaceutical compositions containing the compounds of formula I are described. Processes for preparing the novel quinolones are also described.

  具有抗高血压活性的喹啉类化合物具有通式 1、 其中，X 是任选取代的苯环的残基；R 是低级烷基；R3 是氢或低级烷基；R1 和 R2（可以相同或不同）是氢、低级烷基，或与它们连接的氮原子一起形成 5 至 7 个成员的饱和杂环，其中任选含有一个选自氮、氧和硫的杂原子，并任选被 1 个或多个低级烷基取代；喹诺酮核的位置 2 和 3 之间的虚线代表任选键。这些化合物可用作降压药。它们还可用于治疗心力衰竭和缺血性心脏病。 除了 1-甲基-4-氧代-1,4-二氢喹啉-3-磺酰胺、1,N-二甲基-4-氧代-1,4-二氢喹啉-3-磺酰胺和 6,7-二甲基-氧代-4-甲基-4-氧代-1,4-二氢喹啉-3-磺酰胺这三种化合物外，式 I 中的喹诺酮类化合物均为新型化合物。 描述了含有式 I 化合物的药物组合物。还描述了制备新型喹诺酮类药物的工艺。
• PYRIDYL IMIDAZOBENZODIAZEPINE PROPIONATE COMPOUND AND SYNTHESIS AND USE THEREOF
  申请人：Hangzhou Adamerck Pharmlabs Inc.

  公开号：EP3730495A1

  公开（公告）日：2020-10-28

  Disclosed are a pyridyl imidazobenzodiazepine propionate (compound 1) and the synthesis and use thereof. Also provided are intermediates for the preparation. Compound 1 provided by the present invention has an obvious venous anesthesia activity equivalent to that of the positive control drug remimazolam p-toluenesulfonate or remimazolam besylate. In addition, compound 1 can be significantly reduced in mouse model experiments, and same can even overcome common limb jitters, head tilting, opisthotonus and other side effects caused by the remimazolam besylate or remimazolam p-toluenesulfonate as a drug during development in preclinical animal experiments, thereby allowing same to be used in the preparation of intravenous anesthetics. The structural general formula of compound 1 is as follows, wherein each group and substituent are as defined in the description.

  本发明公开了一种吡啶基咪唑苯并二氮杂卓丙酸酯（化合物 1）及其合成和使用方法。还提供了用于制备的中间体。本发明提供的化合物 1 具有明显的静脉麻醉活性，与阳性对照药物对甲苯磺酸雷马唑仑或苯磺酸雷马唑仑相当。此外，化合物1在小鼠模型实验中可以明显降低麻醉活性，甚至可以克服苯磺酸雷马唑仑或对甲苯磺酸雷马唑仑作为药物在临床前动物实验开发过程中常见的肢体抖动、头部倾斜、opisthotonus等副作用，从而可以用于制备静脉麻醉药。化合物 1 的结构通式如下，其中各基团和取代基如描述中所定义。