8-Nitro-2,3-dihydropyrrolo[1,2,3-de]-1,4-benzoxazine-5,6-dione | 123296-54-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 8-Nitro-2,3-dihydropyrrolo[1,2,3-de]-1,4-benzoxazine-5,6-dione
• 英文别名: 6-nitro-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-2,3-dione
• CAS: 123296-54-8
• 化学式: C₁₀H₆N₂O₅
• 分子量: 234.168
• InChiKey: RWOVKXXEEWBIPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  92.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  8-Nitro-2,3-dihydropyrrolo[1,2,3-de]-1,4-benzoxazine-5,6-dione 在 sodium hydroxide 、 双氧水 作用下， 生成 3,4-dihydro-7-nitro-2H-1,4-benzoxazine-5-carboxylic acid
  参考文献：
  名称：

  Synthesis and antirheumatic activity of novel tetrahydroquinoline-8-carboxylic acid derivatives

  摘要：

  A study of the modification of N-alkylanthranilic acids to develop novel DMARDs is detailed. 1,2,3,4-Tetrahydroquinoline-8-carboxylic acid derivatives were found to exhibit a therapeutic effect on adjuvant arthritis and a suppressive effect on bone destruction. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00261-8
• 作为产物：
  描述：

  4-(氯乙酰基)-3,4-二氢-2H-1,4-苯并噁嗪 在 盐酸 、 sodium hydroxide 、 硝酸 、 N,N-二甲基-4-亚硝基苯胺 作用下， 生成 8-Nitro-2,3-dihydropyrrolo[1,2,3-de]-1,4-benzoxazine-5,6-dione
  参考文献：
  名称：

  Synthesis and antirheumatic activity of novel tetrahydroquinoline-8-carboxylic acid derivatives

  摘要：

  A study of the modification of N-alkylanthranilic acids to develop novel DMARDs is detailed. 1,2,3,4-Tetrahydroquinoline-8-carboxylic acid derivatives were found to exhibit a therapeutic effect on adjuvant arthritis and a suppressive effect on bone destruction. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00261-8

文献信息

• Cyclic anthranilic acid derivatives and process for their preparation
  申请人：Kyorin Pharmaceutical Co., Ltd.

  公开号：US04956372A1

  公开（公告）日：1990-09-11

  An antirheumatoid pharmaceutical composition containing a cyclic anthranilic acid derivative of the following formula, ##STR1## wherein R.sup.1, R.sup.2 and R.sup.3 each independently indicate a hydrogen atom, lower alkyl group having 1 to 3 carbon atoms, lower alkoxy group having 1 to 3 carbon atoms, amino group, nitro group, hydroxy group, sulfonamide group, trifluoromethyl group, cyano group, carboxyl group, carbamoyl group, acetyl group, benzoylmethyl group which may be substituted, methylthio group, phenylethynyl group which may be substituted, ethynyl group which may be substituted, alkanoylamino group having 1 to 3 carbon atoms, benzoylamino group which may be substituted, alkylsulfonylamino group having 1 to 3 carbon atoms or phenylsulfonylamino group which may be substituted; R.sup.4 and R.sup.5 each independently indicate a hydrogen atom, lower alkyl group having 1 to 3 carbon atoms, cyano group, carboxyl group, hydroxymethyl group, phenyl group which may be substituted or benzyl group; R.sup.6 indicates a hydrogen atom, lower alkyl group having 1 to 3 carbon atoms or benzyl group; X indicates a methylene group; their acid or alkali salts and an inert, pharmaceutically acceptable carrier.

  一种抗风湿药物组合物，包含下列公式的环状蒽醌酸衍生物：##STR1## 其中R.sup.1，R.sup.2和R.sup.3各自独立表示氢原子，具有1至3个碳原子的低级烷基，具有1至3个碳原子的低级烷氧基，氨基，硝基，羟基，磺酰胺基，三氟甲基基团，氰基，羧基，氨基甲酰基，乙酰基，苯甲酰甲基基团，可以被取代的甲硫基基团，可以被取代的苯乙炔基团，可以被取代的乙炔基团，具有1至3个碳原子的脂肪酰胺基，可以被取代的苯甲酰胺基，具有1至3个碳原子的烷基磺酰胺基或可以被取代的苯基磺酰胺基；R.sup.4和R.sup.5各自独立表示氢原子，具有1至3个碳原子的低级烷基，氰基，羧基，羟甲基基团，可以被取代的苯基或苄基；R.sup.6表示氢原子，具有1至3个碳原子的低级烷基或苄基；X表示亚甲基基团；它们的酸或碱盐以及惰性的、药学上可接受的载体。
• Cyclic anthranilic acid derivatives
  申请人：Kyorin Pharmaceutical Co., Ltd.

  公开号：US05281600A1

  公开（公告）日：1994-01-25

  An antirheumatoid pharmaceutical composition containing a cyclic anthranilic acid derivative of the following formula, ##STR1## wherein R.sup.1, and R.sup.2 and R.sup.3 each independently indicate a hydrogen atom, halogen atom, lower alkyl group having 1 to 3 carbon atoms, lower alkoxy group having 1 to 3 carbon atoms, amino group, nitro group, hydroxy group, sulfonamide group, trifluoromethyl group, cyano group, carboxyl group, carbamoyl group, acetyl group, benzoylmethyl group which may be substituted, methylthio group, phenylethynyl group which may be substituted, ethynyl group which may be substituted, alkanoylamino group having 1 to 3 carbon atoms, benzoylamino group which may be substituted, alkylsulfonylamino group having 1 to 3 carbon atoms or phenylsulfonylamino group which may be substituted; R.sup.4 and R.sup.5 each independently indicate a hydrogen atom, lower alkyl group having 1 to 3 carbon atoms, cyano group, carboxyl group, hydroxymethyl group, phenyl group which may be substituted or benzyl group; R.sup.6 indicates a hydrogen atom, lower alkyl group having 1 to 3 carbon atoms or benzyl group; X is a methylene; the acid or alkali salts thereof and an insert, pharamaceutically acceptable carrier.

  一种抗风湿药物组合物，包含下列公式的环状蒽醌酸衍生物：##STR1##其中，R.sup.1、R.sup.2和R.sup.3各自独立表示氢原子、卤素原子、具有1至3个碳原子的低级烷基基团、具有1至3个碳原子的低级烷氧基基团、氨基基团、硝基基团、羟基基团、磺酰胺基团、三氟甲基基团、氰基、羧基、氨基甲酰基、乙酰基基团、苯甲酰甲基基团，其可以被取代、甲硫基基团、苯乙炔基团，其可以被取代、乙炔基团，其可以被取代、具有1至3个碳原子的烷酰胺基团、可以被取代的苯甲酰胺基团、具有1至3个碳原子的烷基磺酰胺基团或可以被取代的苯基磺酰胺基团；R.sup.4和R.sup.5各自独立表示氢原子、具有1至3个碳原子的低级烷基基团、氰基、羧基、羟甲基基团、可以被取代的苯基或苯甲基基团；R.sup.6表示氢原子、具有1至3个碳原子的低级烷基基团或苯甲基基团；X为亚甲基；其酸或碱盐以及插入物、药学上可接受的载体。
• Novel cyclic anthranilic acid derivatives and process for their preparation
  申请人：KYORIN PHARMACEUTICAL CO., LTD.

  公开号：EP0310096B1

  公开（公告）日：1995-04-19
• US4956372A
  申请人：——

  公开号：US4956372A

  公开（公告）日：1990-09-11
• US5147874A
  申请人：——

  公开号：US5147874A

  公开（公告）日：1992-09-15