2-(2-amino-2-oxoethyl)benzoic acid | 4476-30-6

• 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-(2-amino-2-oxoethyl)benzoic acid
• 英文别名: 2-Carbamoylmethyl-benzoesaeure；2-carbamoylmethyl-benzoic acid；2-Carboxy-phenylacetamid；Homophthalsaeure-amid-(2)；Phenacetamid-o-carbonsaeure；2-Carboxy-phenacetamid；2-(Carbamoylmethyl)benzoic acid
• CAS: 4476-30-6
• 化学式: C₉H₉NO₃
• 分子量: 179.175
• InChiKey: BDBHJSHCZKNLJL-UHFFFAOYSA-N

物化性质

• 沸点：
  443.1±28.0 °C(Predicted)
• 密度：
  1.321±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  80.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(2-amino-2-oxoethyl)benzoic acid 以 乙二醇 为溶剂， 反应 6.0h， 生成 6-(4-nitro-phenylazo)-benzo[4,5]oxazolo[3,2-b]isoquinolin-11-one
  参考文献：
  名称：

  Schefczik,E., Justus Liebigs Annalen der Chemie, 1969, vol. 729, p. 83 - 96

  摘要：

  DOI：
• 作为产物：
  描述：

  2-(氰基甲基)苯甲酸 在 硫酸 作用下， 生成 2-(2-amino-2-oxoethyl)benzoic acid
  参考文献：
  名称：

  Gabriel, Chemische Berichte, 1887, vol. 20, p. 1204

  摘要：

  DOI：

文献信息

• Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof
  申请人：Tsou Hwei-Ru

  公开号：US20080085890A1

  公开（公告）日：2008-04-10

  This invention provides compounds of Formula (I), having the structure where G 1 , G 2 , G 3 , G 4 , A 1 , A 2 , Y 1 , Y 2 , L 1 , Z, e and f are defined herein, or a pharmaceutically acceptable salt thereof, which are useful for treating or preventing cancer.

  这项发明提供了公式（I）的化合物，其结构为其中G1、G2、G3、G4、A1、A2、Y1、Y2、L1、Z、e和f在此定义，或其药学上可接受的盐，可用于治疗或预防癌症。
• Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof
  申请人：Wyeth LLC

  公开号：US07713994B2

  公开（公告）日：2010-05-11

  This invention provides compounds of Formula (I), having the structure where G1, G2, G3, G4, A1, A2, Y1, Y2, L1, Z, e and f are defined herein, or a pharmaceutically acceptable salt thereof, which are useful for treating or preventing cancer.

  这项发明提供了式（I）的化合物，其结构为G1，G2，G3，G4，A1，A2，Y1，Y2，L1，Z，e和f在此定义，或其药学上可接受的盐，用于治疗或预防癌症。
• Extending the Scope of the New Variant of the Castagnoli–Cushman Cyclocondensation onto o-Methyl Benzoic Acids Bearing Various Electron-Withdrawing Groups in the α-Position
  作者：Natalia Guranova、Lyudmila Yakovleva、Olga Bakulina、Dmitry Dar’in、Mikhail Krasavin

  DOI：10.3390/molecules27217211

  日期：——

  involvement of homophthalic acid monoesters in the Castagnoli–Cushman reaction-type cyclocondensation with imines, we tested a number of other o-methyl benzoic acids bearing various electron-withdrawing groups in the α-position. The majority of these substrates delivered the expected tetrahydroisoquinolone adducts on activation with CDI or acetic anhydride. Homophthalic acid mononitriles displayed the

  基于先前报道的高邻苯二甲酸单酯参与与亚胺的 Castagnoli-Cushman 反应型环缩合反应，我们测试了其他一些o-甲基苯甲酸，在 α 位带有各种吸电子基团。这些底物中的大多数在用 CDI 或乙酸酐激活时传递预期的四氢异喹诺酮加合物。就范围和产品收率而言，间苯二甲酸单腈作为新反应的底物显示出最高的前景。间苯二甲酸单酰胺要么产率低，要么不能与亚胺反应。磺酰基取代的底物给出了所需的（迄今为止未知的）类型的四氢异喹啉。尽管产率低，但这种磺酰基取代的四氢异喹啉的方法作为基于传统羧酸 CCR 加合物的替代合成方法似乎很实用，这可能是繁琐且多步骤的。叠氮基和硝基取代的o-甲基苯甲酸不能与亚胺反应。
• 6-Alpha-methoxy penicillin derivatives, process for their preparation and pharmaceutical compositions comprising them
  申请人：BEECHAM GROUP PLC

  公开号：EP0029871A1

  公开（公告）日：1981-06-10

  Penicillins with antibacterial activity having formula (I): wherein R2 is hydrogen or a pharmaceutically acceptable salting ion or in vivo hydrolysable ester radical and R' is hydrogen, a pharmaceutically acceptable salting ion or a pharmaceutically acceptable ester forming radical Processes for their preparation and pharmaceutical compositions comprising them are also described.

  具有式(I)抗菌活性的青霉素： 其中 R2 是氢、药学上可接受的盐离子或体内可水解的酯基，R'是氢、药学上可接受的盐离子或药学上可接受的酯形成基。 还描述了它们的制备工艺和包含它们的药物组合物。
• PHARMACEUTICAL COMPOSITIONS COMPRISING COMBINED ANTIDIABETIC SUBSTANCES FOR USE IN DIABETES MELLITUS
  申请人：ESPINOZA ABDALA, Leopoldo de Jesús

  公开号：EP1935424A1

  公开（公告）日：2008-06-25

  The present invention relates to the pharmaceutical industry in general and, in particular, to the pharmaceutical industry involved in the preparation of medicaments for controlling diabetes. More specifically, the invention relates to a composition comprising different types of antidiabetic substances in combination. The composition is characterized in that the aforementioned combination or association consists of two or three antidiabetic substances that are selected from the group containing: sulfonylureas, meglitinides, biguanides or inhibitors of alpha-glucosidase with thiazolidinediones for the treatment of type 2 diabetes mellitus in novel formulations and wherein the sulfonylureas are selected from the group containing glipizide, glyburide, glimepiride; meglitinides, repaglinide, nateglinide, thiazolidinediones or a combination of same; biguanides such as metformin; inhibitors of alpha-glucosidase known as acarbose, miglitol associated or combined with thiazolidinediones known as pioglitazone, rosiglitazone, troglitazone, such as a base or a physiologically-accepted salt.

  本发明涉及整个制药行业，特别是涉及制备控制糖尿病药物的制药行业。更具体地说，本发明涉及一种由不同类型的抗糖尿病物质组合而成的组合物。该组合物的特征在于，上述组合或联合物由两种或三种抗糖尿病物质组成，这些抗糖尿病物质选自以下组别：磺脲类、甲巯咪唑类、吲哚美辛类、吲哚美辛类和吲哚美辛类：磺脲类、梅格列酮类、双胍类或α-葡萄糖苷酶抑制剂与噻唑烷二酮类，用于治疗新型制剂中的 2 型糖尿病，其中磺脲类药物选自包含格列吡嗪、甘布脲、格列美脲、梅格列酮、雷帕吉特的组；美格列奈、瑞格列奈、纳格列奈、噻唑烷二酮类或其复方制剂；双胍类，如二甲双胍；α-葡萄糖苷酶抑制剂，如阿卡波糖、米格列醇，与噻唑烷二酮类，如吡格列酮，罗格列酮，曲格列酮，如碱基或生理上可接受的盐相关联或复方制剂。