Ethyl 3-(3-aminophenyl)-3-phenylpropionylamino-propionate

• 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
• 英文名称: Ethyl 3-(3-aminophenyl)-3-phenylpropionylamino-propionate
• 英文别名: Ethyl 3-(3-aminophenyl)-3-(2-phenylpropanoylamino)propanoate
• 化学式: C₂₀H₂₄N₂O₃
• 分子量: 340.422
• InChiKey: DGMVLUJNYIKSJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  81.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Ethyl 3-(3-aminophenyl)-3-phenylpropionylamino-propionate 、 3-硝基苯磺酰氯 生成 ethyl 3-(3-[3-nitrophenylsulphonylamino]-phenyl)-3-phenylpropionylaminopropionate
  参考文献：
  名称：

  &bgr;-phenylalanine derivatives as integrin antagonists

  摘要：

  本发明涉及一般式（1）的化合物，其中R4为—SO2R4、—COOR4′、—COR4′、—CONR4′2或—CSNR4′2；R4′为氢、取代或未取代的烷基或环烷基残基、取代或未取代的芳基残基或饱和或不饱和、可选择取代的杂环残基；R4″为取代或未取代的烷基或环烷基残基、取代或未取代的芳基残基或饱和或不饱和、可选择取代的杂环残基；L为磺酰胺、酰胺、醚、酯、酮、脲、硫醚、亚硫氧化物或砜单元，可选择通过一个或两个亚甲基群扩展；X为N、O或S；及其生理上可接受的盐和立体异构体。本发明还涉及一种制备公式（1）化合物的方法，含有至少其中一种化合物的药物组合物，以及利用公式（1）化合物制备具有整合素拮抗作用的药物组合物，特别用于癌症、骨溶解性疾病如骨质疏松症、动脉硬化、再狭窄和眼科疾病的治疗和预防。

  公开号：

  US06291503B1

文献信息

• Beta-phenylalanine derivatives as integrin antagonists
  申请人：——

  公开号：US20010031788A1

  公开（公告）日：2001-10-18

  The present invention relates to compounds of the general formula (1) 1 wherein R 4 is —SO 2 R 4′ , —COOR 4″ , —COR 4′ , —CONR 4′ 2 or —CSNR 4′ 2 ; R 4′ is hydrogen, a substituted or unsubstituted alkyl or cycloalkyl residue, a substituted or unsubstituted aryl residue or a saturated or unsaturated, optionally substituted heterocyclic residue; R 4″ is a substituted or unsubstituted alkyl or cycloalkyl residue, a substituted or unsubstituted aryl residue or a saturated or unsaturated, optionally substituted heterocyclic residue; L is a sulphonamide, amide, ether, ester, keto, urea, thioether, sulphoxide or sulphone unit optionally extended by one or two methylene groups; and X is N, O or S; and their physiologically acceptable salts and stereoisomers. The present invention furthermore relates to a process for the preparation of the compounds of the formula (1), a pharmaceutical composition containing at least one of these compounds, and the use of compounds of the formula (1) for the production of a pharmaceutical composition having integrin-antagonistic action and in particular for the therapy and prophylaxis of cancer, osteolytic diseases such as osteoporosis, arteriosclerosis, restenosis and ophthalmic disorders.

  本发明涉及通式（1）的化合物，其中R4为—SO2R4′，—COOR4″，—COR4′，—CONR4′2或—CSNR4′2；R4′为氢，取代或未取代的烷基或环烷基残基，取代或未取代的芳基残基或饱和或不饱和，可选取代的杂环残基；R4″为取代或未取代的烷基或环烷基残基，取代或未取代的芳基残基或饱和或不饱和，可选取代的杂环残基；L为磺酰胺，酰胺，醚，酯，酮，脲，硫醚，亚砜或砜单元，可选用一个或两个亚甲基扩展；X为N、O或S；以及它们的生理上可接受的盐和立体异构体。本发明还涉及制备通式（1）化合物的过程，包含至少一种这些化合物的制药组合物，以及使用通式（1）化合物制备具有整合素拮抗作用的制药组合物，特别是用于治疗和预防癌症、骨质疏松症等骨溶解性疾病、动脉硬化、再狭窄和眼科疾病。
• BETA-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS
  申请人：Bayer Aktiengesellschaft

  公开号：EP1147079A2

  公开（公告）日：2001-10-24
• US6291503B1
  申请人：——

  公开号：US6291503B1

  公开（公告）日：2001-09-18
• US6589972B2
  申请人：——

  公开号：US6589972B2

  公开（公告）日：2003-07-08
• [EN] beta -PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS<br/>[FR] DERIVES DE beta -PHENYLALANINE CONSTITUANT DES ANTAGONISTES DE L'INTEGRINE
  申请人：BAYER AG

  公开号：WO2000041469A2

  公开（公告）日：2000-07-20

  The present invention relates to compounds of general formula (1), wherein R4 is -SO¿2?R?4', -COOR4', -COR4', -CONR4'¿2 or -CSNR4'2; R4' is hydrogen, a substituted or unsubstituted alkyl or cycloalkyl residue, a substituted or unsubstituted aryl residue or a saturated or unsaturated, optionally substituted heterocyclic residue; R4' is a substituted or unsubstituted alkyl or cycloalkyl residue, a substituted or unsubstituted aryl residue or a saturated or unsaturated, optionally substituted heterocyclic residue; L is a sulphonamide, amide, ether, ester, keto, urea, thioether, sulphoxide or sulphone unit optionally extended by one or two methylene groups; and X is N, O or S; and their physiologically acceptable salts and stereoisomers. The present invention furthermore relates to a process for the preparation of the compounds of formula (1), a pharmaceutical composition containing at least one of these compounds, and the use of compounds of formula (1) for the production of a pharmaceutical composition having integrin-antagonistic action and in particular for the inhibition of angiogenesis and/or for the therapy and prophylaxis of cancer, osteolytic diseases such as osteoporosis, arteriosclerosis, restenosis and ophthalmic disorders.