carbonic acid 3,5-dimethyl-benzyl ester 4-nitro-phenyl ester | 303186-99-4

• 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: carbonic acid 3,5-dimethyl-benzyl ester 4-nitro-phenyl ester
• 英文别名: (3,5-Dimethylphenyl)methyl (4-nitrophenyl) carbonate
• CAS: 303186-99-4
• 化学式: C₁₆H₁₅NO₅
• 分子量: 301.299
• InChiKey: VMWMVCOJFTXMRW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  81.4
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• Use of 2, 4diamino-3-hydroxycarboxylic acid derivatives as proteasome inhibitors
  申请人：France Dennis

  公开号：US20050026994A1

  公开（公告）日：2005-02-03

  The present invention relates to the new use of 2,4-diamino-3-hydroxycarboxylic acids of formula (I), in which A and B independently represent a bond or an unsubstituted or substituted amino acyl moiety; R 1 represents hydrogen; an amino protecting group; or a group of formula R 5 Y— wherein R 5 represents hydrogen or an unsubstituted or substituted alkyl, alkenyl, alkinyl, aryl, arylalkyl, heteroaryl, heteroarylalkyl, heterocyclyl or heterocyclylalkyl group; and Y represents —CO—; —NH—CO—; —NH—CS—; —SO 2 —; —O—CO—; or —O—CS—; R 2 represents the side chain of a natural amino acid; an alkyl, arylalkyl, heteroarylalkyl or cycloalkylalkyl group; or trimethylsilylmethyl, 2-thienylmethyl or styrylmethyl; R 3 represents halogen, alkyl, alkoxy or hydroxyalkoxy; and R 4 represents 2(R)-hydroxyindan-1(S)-yl; (S)-2-hydroxy-1-phenylethyl; or 2-hydroxy-benzyl unsubstituted or substituted in 4-position by methoxy; in the manufacture of a pharmaceutical composition for the treatment of a proliferative disease, e.g., of a solid tumor; to a method of treatment of warm-blooded animals; and to 2,4-diamino-3-hydroxycarboxylic acids of formula (I*), wherein A and B independently represent an unsubstituted or substituted amino acyl moiety; R 2 represents arylalkyl; R 3 represents halogen, alkyl, alkoxy or hydroxyalkoxy; R 4 represents 2-hydroxy-benzyl unsubstituted or substituted in 4 position by methoxy; and R 5 represents arylalkyl and Y represents —CO—; or R 5 represents alkyl substituted by cycloalkyl, naphthyl, pyridyl or phenyl in which phenyl is substituted by alkyl or amino; and Y represents —O—CO; pharmaceutically acceptable salts thereof; and the use of such compounds of formula (I*) for the therapeutic treatment of the human or animal body, especially the treatment of proliferative diseases.

  本发明涉及式（I）的 2,4-二氨基-3-羟基羧酸的新用途，其中 A 和 B 独立地代表一个键或一个未取代或取代的氨基酰基；R 1 代表氢；氨基保护基；或式 R 5 Y- 其中 R 5 代表氢或未取代或取代的烷基、烯基、炔基、芳基、芳烷基、杂芳基、杂芳烷基、杂环烷基或杂环烷基；且 Y 代表 -CO-；-NH-CO-；-NH-CS-；-SO 2 -；-O-CO-；或-O-CS-； R 2 代表天然氨基酸的侧链；烷基、芳烷基、杂芳烷基或环烷基烷基；或三甲基硅甲基、2-噻吩甲基或苯乙烯甲基； R 3 3 代表卤素、烷基、烷氧基或羟基烷氧基；以及 R 4 代表 2(R)-羟基茚满-1(S)-基；(S)-2-羟基-1-苯基乙基；或未被甲氧基取代或在 4-位被甲氧基取代的 2-羟基苄基； 用于制造治疗增殖性疾病，例如式 (I*) 的 2,4-二氨基-3-羟基羧酸，其中 A 和 B 独立地代表未取代或取代的氨基酰基； R 2 代表芳烷基 3 代表卤素、烷基、烷氧基或羟基烷氧基； R 4 代表未取代的 2-羟基苄基或在 4 位被甲氧基取代的 2-羟基苄基；以及 R 5 代表芳烷基，Y 代表-CO-；或 R 5 代表被环烷基、萘基、吡啶基或苯基取代的烷基，其中苯基被烷基或氨基取代；且 Y 代表 -O-CO；其药学上可接受的盐；以及将式 (I*) 的此类化合物用于人体或动物机体的治疗，尤其是增殖性疾病的治疗。
• USE OF 2,4-DIAMINO-3-HYDROXYCARBOXYLIC ACID DERIVATIVES AS PROTEASOME INHIBITORS
  申请人：Novartis AG

  公开号：EP1173413B1

  公开（公告）日：2004-06-30
• [EN] USE OF 2,4-DIAMINO-3-HYDROXYCARBOXYLIC ACID DERIVATIVES AS PROTEASOME INHIBITORS<br/>[FR] DERIVES D'ACIDE 2,4-DIAMINO-3-HYDROXYCARBOXYLIQUE UTILISES COMME INHIBITEURS DE LA PROTEASOME
  申请人：NOVARTIS AG

  公开号：WO2000064863A1

  公开（公告）日：2000-11-02

  The present invention relates to the new use of 2,4-diamino-3-hydroxycarboxylic acids of formula (I), in which A and B independently represent a bond or an unsubstituted or substituted amino acyl moiety; R1 represents hydrogen; an amino protecting group; or a group of formula R5Y- wherein R5 represents hydrogen or an unsubstituted or substituted alkyl, alkenyl, alkinyl, aryl, arylalkyl, heteroaryl, heteroarylalkyl, heterocyclyl or heterocyclylalkyl group; and Y represents -CO-; -NH-CO-; -NH-CS-; -SO2-; -O-CO-; or -O-CS-; R2 represents the side chain of a natural amino acid; an alkyl, arylalkyl, heteroarylalkyl or cycloalkylalkyl group; or trimethylsilylmethyl, 2-thienylmethyl or styrylmethyl; R3 represents halogen, alkyl, alkoxy or hydroxyalkoxy; and R4 represents 2(R)-hydroxyindan-1(S)-yl; (S)-2-hydroxy-1-phenylethyl; or 2-hydroxy-benzyl unsubstituted or substituted in 4-position by methoxy; in the manufacture of a pharmaceutical composition for the treatment of a proliferative disease, e.g. of a solid tumor; to a method of treatment of warm-blooded animals; and to 2,4-diamino-3-hydroxycarboxylic acids of formula (I*), wherein A and B independently represent an unsubstituted or substituted amino acyl moiety; R2 represents arylalkyl; R3 represents halogen, alkyl, alkoxy or hydroxyalkoxy; R4 represents 2-hydroxy-benzyl unsubstituted or substituted in 4 position by methoxy; and R5 represents arylalkyl and Y represents -CO-; or R5 represents alkyl substituted by cycloalkyl, naphthyl, pyridyl or phenyl in which phenyl is substituted by alkyl or amino; and Y represents -O-CO; pharmaceutically acceptable salts thereof; and the use of such compounds of formula (I*) for the therapeutic treatment of the human or animal body, especially the treatment of proliferative diseases.