3-氨基-3-(2,4-二甲氧基苯基)丙酸 | 34841-02-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 3-氨基-3-(2,4-二甲氧基苯基)丙酸
• 英文名称: 3-amino-3-(2,4-dimethoxyphenyl)propanoic acid
• 英文别名: 3-azaniumyl-3-(2,4-dimethoxyphenyl)propanoate
• CAS: 34841-02-6
• 化学式: C₁₁H₁₅NO₄
• 分子量: 225.244
• InChiKey: RYDBREOLOYHYQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  81.8
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 海关编码：
  2922509090

反应信息

• 作为反应物：
  描述：

  3-氨基-3-(2,4-二甲氧基苯基)丙酸 、 三氟乙酸酐 在 三氟乙酸 作用下， 反应 3.0h， 生成 3-(2,4-Dimethoxy-phenyl)-3-(2,2,2-trifluoro-acetylamino)-propionic acid
  参考文献：
  名称：

  一锅环化的烷氧基-3-氨基茚满-1-酮。

  摘要：

  3-Amino-3-alkoxyphenylpropionic acids, prepared from alkoxybenzaldehydes, are cyclized in one step into 3-aminoindan-1-ones using trifluoroacetic acid and trifluoroacetic anhydride.

  DOI：

  10.1016/0040-4039(91)80160-8
• 作为产物：
  描述：

  2,4-二甲氧基苯甲醛 在 丙二酸 作用下， 以 乙醇 为溶剂， 生成 3-氨基-3-(2,4-二甲氧基苯基)丙酸
  参考文献：
  名称：

  PROCESS FOR THE PREPARATION OF C-TERMINALLY AMIDATED PEPTIDES

  摘要：

  公开号：

  EP0548217B1

文献信息

• Imidazolidine derivatives, their preparation, their use, and pharmaceutical preparations comprising them
  申请人：——

  公开号：US20030125565A1

  公开（公告）日：2003-07-03

  The present invention relates to novel imidazolidine derivatives of the formula I, 1 in which B, E, W, Z, R, R 0 , R 2 , R 3 , e and h have the meanings indicated in the application. The compounds of the formula I are valuable pharmaceutical active compounds, which are suitable, for example, for the therapy and prophylaxis of inflammatory disorders, for example of rheumatoid arthritis, or of allergic disorders. The compounds of the formula I are inhibitors of the adhesion and migration of leucocytes and/or antagonists of the adhesion receptor VLA-4 belonging to the integrins group. They are generally suitable for the therapy or prophylaxis of illnesses which are caused by an undesired extent of leucocyte adhesion and/or leucocyte migration or are associated therewith, or in which cell-cell or cell-matrix interactions which are based on interactions of VLA-4 receptors with their ligands play a part. The invention furthermore relates to processes for the preparation of the compounds of the formula I, their use in the therapy and prophylaxis of the disease states mentioned and pharmaceutical preparations which contain compounds of the formula I.

  本发明涉及公式I的新型咪唑啉衍生物，其中B、E、W、Z、R、R0、R2、R3、e和h在申请书中所示。公式I的化合物是有价值的药物活性化合物，适用于治疗和预防炎症性疾病，例如类风湿性关节炎或过敏性疾病。公式I的化合物是白细胞粘附和迁移的抑制剂和/或属于整合素组的粘附受体VLA-4的拮抗剂。它们通常适用于由白细胞粘附和/或白细胞迁移的不良程度引起或与之相关的疾病的治疗或预防，或者在其中基于VLA-4受体与其配体的相互作用的细胞-细胞或细胞-基质相互作用发挥作用。此外，本发明还涉及公式I化合物的制备方法，它们在上述疾病状态的治疗和预防中的应用以及含有公式I化合物的制药制剂。
• Process for the preparation of C-terminally amidated peptides
  申请人：Carlsberg A/S

  公开号：US05580751A1

  公开（公告）日：1996-12-03

  A process for preparing C-terminally amidated peptides, Peptide-NH.sub.2, is presented. In a first step, a substrate component is reacted with a nucleophile component in the presence of trypsin or a carboxypeptidase using as nucleophile a compound NH.sub.2 -R to form a first reaction product Peptide-NH-R. In a second step, the first reaction product is non-enzymatically chemically cleaved to form the C-terminally amidated product, Peptide-NH.sub.2. The substrate component is selected from a) peptide derivatives Peptide-X-Y, where X is an amino acid or peptide residue and Y is OH, OMe or C-terminal modification and c) C-terminally esterified peptides, Peptide-OR', where R' is alkyl, aryl, heteroaryl, or aralkyl. The nucleophile component is selected from ##STR1## wherein A-F and A'-E' are carbon atoms or up to two hetero atoms, Y is H, alkyl, aryl, aralkyl, oxo or carboxy, X.sup.1 -X.sup.5 are H or various substituents. The cleavage may be induced by photolysis, solvolysis, reduction, rearrangement elimination, or oxidation. The process may be adapted to enzymatic synthesis and lends itself to C-terminal amidation of many types of peptides.

  提供了一种制备C-末端酰胺化肽（Peptide-NH.sub.2）的方法。在第一步中，底物组分与核苷酸组分在胰蛋白酶或羧肽酶的存在下反应，使用化合物NH.sub.2-R作为核苷酸，形成第一反应产物Peptide-NH-R。在第二步中，第一反应产物通过非酶化学裂解形成C-末端酰胺化产物Peptide-NH.sub.2。底物组分可从a）肽衍生物Peptide-X-Y中选择，其中X是氨基酸或肽残基，Y是OH，OMe或C-末端修饰，以及c）末端酯化肽Peptide-OR'，其中R'是烷基，芳基，杂芳基或芳基烷基。核苷酸组分可从##STR1##中选择，其中A-F和A'-E'是碳原子或多达两个杂原子，Y是H，烷基，芳基，芳基烷基，氧代或羧基，X.sup.1 -X.sup.5是H或各种取代基。裂解可以通过光解，溶剂裂解，还原，重排消除或氧化诱导。该过程可适应于酶促合成，并适用于许多类型的肽的C末端酰胺化。
• Basheeruddin,K. et al., Synthetic Communications, 1979, vol. 9, p. 705 - 712
  作者：Basheeruddin,K. et al.

  DOI：——

  日期：——
• SPIROIMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM
  申请人：Aventis Pharma Deutschland GmbH

  公开号：EP1183241A1

  公开（公告）日：2002-03-06
• US5580751A
  申请人：——

  公开号：US5580751A

  公开（公告）日：1996-12-03