(2,6-dichlorobenzoyl)glycine | 24096-58-0

• 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: (2,6-dichlorobenzoyl)glycine
• 英文别名: 2,6-Dichlorhippursaeure；2,6-dichloro-hippuric acid；N-(2,6-dichlorobenzoyl)glycine；2-[(2,6-dichlorobenzoyl)amino]acetic acid
• CAS: 24096-58-0
• 化学式: C₉H₇Cl₂NO₃
• mdl: MFCD09810245
• 分子量: 248.065
• InChiKey: JOYVQYKLHMBFRW-UHFFFAOYSA-N

物化性质

• 熔点：
  187-190 °C
• 沸点：
  424.5±45.0 °C(predicted)
• 密度：
  1.505±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (2,6-dichlorobenzoyl)glycine 、 (S)-(-)- α-甲基苄胺 生成 N-(α-methylbenzyl)-2-(2,6-dichlorobenzoylamino)acetamide
  参考文献：
  名称：

  MATSUI, TAKASHI;NAGANO, MITSUO;KITAMURA, KOICHI;SHIMIZU, FUSAAKI

  摘要：

  DOI：
• 作为产物：
  描述：

  2,6-二氯苯甲酰氯 在 水 、 碳酸氢钠 、 sodium hydroxide 作用下， 以 2-甲基四氢呋喃 、 水 为溶剂， 反应 4.5h， 生成 (2,6-dichlorobenzoyl)glycine
  参考文献：
  名称：

  Substituents Effect on the Erlenmeyer−Plöchl Reaction: Understanding an Observed Process Reaction Time

  摘要：

  A systematic study on hippuric acid substituents was performed in order to better understand the influence of stereoelectronic factors on the Erlenmeyer reaction rate. In addition, two reaction systems were evaluated: Hunig's base solvent free conditions and catalytic sodium acetate in 2-methyl-THF. The effect on reaction rate of electron withdrawing and electron donating groups are reported. Specifically, the study led to the conclusion that stereoelectronic factors have significant influence in one of our key Erlenmeyer reaction by affecting its reaction rate.

  DOI：

  10.1021/op100032s

文献信息

• Fibroblast activation protein inhibitor compounds and methods
  申请人：Cohen Frederick

  公开号：US20060276435A1

  公开（公告）日：2006-12-07

  Amino terminus-blocked peptide boronate compounds of Formulas I and II are useful for inhibiting Fibroblast Activation Protein (FAP) and other proteases, and for treating disorders mediated by FAP. Methods of using the amino terminus blocked peptide boronate compounds, and stereoisomers, tautomers, solvates and pharmaceutically acceptable salts thereof, for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions are disclosed.

  公式 I 和 II 的氨基末端阻断肽硼酸化合物可用于抑制成纤维细胞活化蛋白（FAP）和其他蛋白酶，并用于治疗由FAP介导的疾病。公开了使用氨基末端阻断肽硼酸化合物以及其立体异构体、互变异构体、溶剂合物和药用可接受的盐来进行体外、原位和体内对哺乳动物细胞中的这些疾病进行诊断、预防或治疗的方法，或相关的病理状况。
• [EN] PYRIDAZINONES AS ANTAGONISTS OF A4 INTEGRINS<br/>[FR] PYRIDAZINONES EN TANT QU'ANTAGONISTES D'INTÉGRINES DOLLAR G(A)4
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2005077915A1

  公开（公告）日：2005-08-25

  The present invention relates to certain novel compounds of Formula (I): Formula (I) methods for preparing these compounds, compositions, intermediates and derivatives thereof and for the treatment of integrin mediated disorders.

  本发明涉及某些新型化合物的公式（I）：公式（I）制备这些化合物的方法、组成物、中间体和衍生物以及治疗整合素介导的疾病的方法。
• Amino acid derivatives having anti-tumor activity and compositions
  申请人：Sankyo Company, Limited

  公开号：US04904680A1

  公开（公告）日：1990-02-27

  Amino acid amides of formula (I): ##STR1## wherein R.sup.1 -R.sup.5 and Y represent a variety of organic groups and atoms (including where R.sup.2, Y and the adjacent nitrogen atom together represent a thiazolidine or pyrrolidine group) and X represents carbonyl or sulfonyl are mostly new compounds and have valuable anti-tumor and immuno-regulatory activities. They may be formulated in compositions for pharmaceutical use.

  式(I)的氨基酸酰胺：##STR1## 其中R.sup.1-R.sup.5和Y代表各种有机基团和原子（包括R.sup.2、Y和相邻的氮原子一起代表噻唑啉或吡咯啉基团的情况），X代表羰基或磺酰基，大多数是新的化合物，并具有有价值的抗肿瘤和免疫调节活性。它们可以制成药用组合物。
• NEW PHENYLALANINE DERIVATIVES
  申请人：SUZUKI Nobuyasu

  公开号：US20090048236A1

  公开（公告）日：2009-02-19

  Specific phenylalanine derivatives or pharmaceutically acceptable salts thereof have an antagonistic effect on the α4 integrins and, therefore, are usable as therapeutic agents or preventive agents for diseases in which α4 integrin-depending adhesion process participates in the pathology, such as inflammatory diseases, rheumatoid arthritis, inflammatory bowel diseases, systemic lupus erythematosus, multiple sclerosis, Sjögren's syndrome, asthma, psoriasis, allergy, diabetes, cardiovascular diseases, arterial sclerosis, restenosis, tumor proliferation, tumor metastasis and transplantation rejection.

  特定的苯丙氨酸衍生物或其药学上可接受的盐具有对α4整合素的拮抗作用，因此可用作治疗剂或预防剂，用于α4整合素依赖性黏附过程参与病理的疾病，如炎症性疾病、类风湿性关节炎、炎症性肠病、系统性红斑狼疮、多发性硬化症、干燥综合症、哮喘、银屑病、过敏、糖尿病、心血管疾病、动脉硬化、再狭窄、肿瘤增殖、肿瘤转移和移植排斥。
• Fibroblast Activation Protein Inhibitor Compounds and Methods
  申请人：Cohen Frederick

  公开号：US20080280856A1

  公开（公告）日：2008-11-13

  Amino terminus-blocked peptide boronate compounds of Formulas I and II are useful for inhibiting Fibroblast Activation Protein (FAP) and other proteases, and for treating disorders mediated by FAP. Methods of using the amino terminus blocked peptide boronate compounds, and stereoisomers, tautomers, solvates and pharmaceutically acceptable salts thereof, for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions are disclosed.

  I和II式的氨基端阻断肽硼酸化合物可用于抑制成纤维细胞活化蛋白（FAP）和其他蛋白酶，并用于治疗由FAP介导的疾病。本文披露了使用氨基端阻断肽硼酸化合物及其立体异构体、互变异构体、溶剂化物和药学上可接受的盐，在哺乳动物细胞中进行体外、体内和原位诊断、预防或治疗此类疾病或相关病理条件的方法。