α-(2-Methyl-3-phenylindol-7-yl)essigsaeure | 51135-35-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: α-(2-Methyl-3-phenylindol-7-yl)essigsaeure
• 英文别名: (2-Methyl-3-phenyl-1H-indol-7-yl)acetic acid；2-(2-methyl-3-phenyl-1H-indol-7-yl)acetic acid
• CAS: 51135-35-4
• 化学式: C₁₇H₁₅NO₂
• 分子量: 265.312
• InChiKey: DYDUIMFASMCZSK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  53.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  α-(2-Methyl-3-phenylindol-7-yl)essigsaeure 在 ozone 作用下， 以 水 、 溶剂黄146 为溶剂， 生成 2-Acetamido-3-benzoylphenylessigsaeure
  参考文献：
  名称：

  4-(5- And 7-)benzoylindolin-2-ones and pharmaceutical uses thereof

  摘要：

  根据以下结构式制备的新型4-(5-和7-)苯甲酰吲哚-2-酮化合物: 其中R为氢、较低烷基或甲硫基，R.sup.1为氢或较低烷基，R.sup.2为较低烷基、较低烷氧基、卤素、硝基或三氟甲基，R.sup.3为氢、卤素或较低烷氧基，n为0、1或2，通过(a)酰化吲哚-2-酮得到5-苯甲酰吲哚-2-酮，(b)环化2-乙酰氨基-3-苯甲酰苯乙酸或乙酸乙酯得到7-苯甲酰吲哚-2-酮，或(c)将氨基苯基酮与烷基α-(甲硫基)乙酸酯反应得到烷基2-氨基-3-(5-或6-)苯甲酰-α-(甲硫基)苯乙酸酯，然后环化和去甲硫基得到4-(5-和7-)苯甲酰吲哚-2-酮。这些新型化合物具有抗炎活性，并且是制备具有抗炎特性的2-氨基-3-(5-或6-)苯甲酰苯乙酸的中间体。

  公开号：

  US03975531A1

文献信息

• Method of inhibiting blood platelet aggregation with 2-amino-3-(5- and
  申请人：A. H. Robins Company, Incorporated

  公开号：US04182774A1

  公开（公告）日：1980-01-08

  Novel 2-amino-3-(5- and 6-)benzoylphenylacetic acids, esters and metal salts of the formula: ##STR1## wherein R is hydrogen or lower alkyl, R.sup.1 is hydrogen, lower-alkyl, sodium or potassium, R.sup.2 is hydrogen, halogen or lower alkoxy, X is hydrogen, lower alkyl, halogen, nitro or trifluoromethyl, Y is hydrogen, lower alkyl, halogen, nitro or trifluoromethyl, and Am is primary amino (--NH.sub.2) methylamino or dimethylamino. The compounds are prepared by hydrolysis of 4-(5- and 7-)benzoylindolin-2-ones to give the 2-amino-3-(5- and 6-)benzoylphenylacetic acids wherein amino is primary amino. The free acids are converted to the esters and metal salts. The calcium and magnesium salts are disclosed and are within the scope of the present invention. The compounds inhibit blood platelet aggregation.

  化学式为：##STR1##的新型2-氨基-3-(5-和6-)苯甲酰基苯乙酸、酯及金属盐，其中R为氢或较低的烷基，R.sup.1为氢、较低的烷基、钠或钾，R.sup.2为氢、卤素或较低的烷氧基，X为氢、较低的烷基、卤素、硝基或三氟甲基，Y为氢、较低的烷基、卤素、硝基或三氟甲基，Am为主要氨基（--NH.sub.2）、甲基氨基或二甲基氨基。该化合物通过4-(5-和7-)苯甲酰基吲哚-2-酮的水解制备得到2-氨基-3-(5-和6-)苯甲酰基苯乙酸，其中氨基为主要氨基。游离酸转化为酯和金属盐。本发明公开了钙和镁盐，属于本发明的范围。该化合物能抑制血小板聚集。
• Anti-inflammatory methods using 2-amino-3-(5- and 6-)benzoylphenylacetic
  申请人：A. H. Robins Company, Incorporated

  公开号：US04045576A1

  公开（公告）日：1977-08-30

  Novel 2-amino-3-(5- and 6-)benzoylphenylacetic acids, esters and metal salts of the formula: ##STR1## wherein R is hydrogen or lower alkyl, R.sup.1 is hydrogen, lower-alkyl, sodium or potassium, R.sup.2 is hydrogen, halogen or lower alkoxy, X is hydrogen, lower alkyl, halogen, nitro or trifluoromethyl, Y is hydrogen, lower alkyl, halogen, nitro or trifluoromethyl, and Am is primary amino (--NH.sub.2) methylamino or dimethylamino. The compounds are prepared by hydrolysis of 4-(5- and 7-)benzoylindolin-2-ones to give the 2-amino-3-(5- and 6-)benzoylphenylacetic acids wherein amino is primary amino. The free acids are converted to the esters and metal salts. The calcium and magnesium salts are disclosed and are within the scope of the present invention. The compounds have anti-inflammatory activity, are effective in lowering the cholesterol levels in hyperlipemic rats and inhibit blood platelet aggregation.

  化合物的式子为：##STR1## 其中R为氢或低碳基，R.sup.1为氢、低碳基、钠或钾，R.sup.2为氢、卤素或低烷氧基，X为氢、低碳基、卤素、硝基或三氟甲基，Y为氢、低碳基、卤素、硝基或三氟甲基，Am为初级氨基（--NH.sub.2）、甲基氨基或二甲基氨基。这些化合物是通过将4-(5-和7-)苯甲酰吲哚烷-2-酮水解制备得到的2-氨基-3-(5-和6-)苯甲酰基乙酸，其中氨基为初级氨基。游离酸转化为酯和金属盐。本发明揭示了钙和镁盐。这些化合物具有抗炎活性，能有效降低高脂血症大鼠的胆固醇水平，并抑制血小板聚集。
• 2-Amino-3-(5- and 6-)benzoylphenylacetic acids, esters and metal salts
  申请人：A. H. Robins Company, Incorporated

  公开号：US04126635A1

  公开（公告）日：1978-11-21

  Novel 2-amino-3-(5- and 6-)benzoylphenylacetic acids, esters and metal salts of the formula: ##STR1## wherein R is hydrogen or lower alkyl, R.sup.1 is hydrogen, lower-alkyl, sodium or potassium, R.sup.2 is hydrogen, halogen or lower alkoxy, X is hydrogen, lower alkyl, halogen, nitro or trifluoromethyl, Y is hydrogen, lower alkyl, halogen, nitro or trifluoromethyl, and Am is primary amino (--NH.sub.2) methylamino or dimethylamino. The compounds are prepared by hydrolysis of 4-(5- and 7-)benzoylindolin-2-ones to give the 2-amino-3-(5- and 6-)benzoylphenylacetic acids wherein amino is primary amino. The free acids are converted to the esters and metal salts. The calcium and magnesium salts are disclosed and are within the scope of the present invention. The compounds have anti-inflammatory activity, are effective in lowering the cholesterol levels in hyperlipemic rats and inhibit blood platelet aggregation.

  化合物的公式为：##STR1## 其中R为氢或低碳基，R.sup.1为氢，低碳基，钠或钾，R.sup.2为氢，卤素或低烷氧基，X为氢，低碳基，卤素，硝基或三氟甲基，Y为氢，低碳基，卤素，硝基或三氟甲基，Am为一级氨基（--NH.sub.2）甲基氨基或二甲基氨基。这些化合物通过4-(5-和7-)苯甲酰吲哚-2-酮的水解制备而成，得到二氨基-3-(5-和6-)苯甲酰基乙酸，其中氨基为一级氨基。游离酸转化为酯和金属盐。本发明揭示了钙和镁盐，并在本发明的范围内。这些化合物具有抗炎活性，在高脂血鼠中有效降低胆固醇水平并抑制血小板聚集。
• US3975531A
  申请人：——

  公开号：US3975531A

  公开（公告）日：1976-08-17
• US4045576A
  申请人：——

  公开号：US4045576A

  公开（公告）日：1977-08-30