4-Nitro-2-tert.-butyl-benzoesaeure | 14034-97-0

• 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: 4-Nitro-2-tert.-butyl-benzoesaeure
• 英文别名: 2-Tert-butyl-4-nitrobenzoic acid
• CAS: 14034-97-0
• 化学式: C₁₁H₁₃NO₄
• 分子量: 223.229
• InChiKey: LGEBVAXTNXQOJC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  83.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-Nitro-2-tert.-butyl-benzoesaeure 在 镍 氢气 作用下， 以 乙醇 为溶剂， 生成 2-(tert-butyl)-4-chlorobenzoic acid
  参考文献：
  名称：

  Baas,J.M.A.; Wepster,B.M., Recueil des Travaux Chimiques des Pays-Bas, 1967, vol. 86, p. 69 - 79

  摘要：

  DOI：
• 作为产物：
  描述：

  2-叔丁基-4-硝基苯胺 生成 4-Nitro-2-tert.-butyl-benzoesaeure
  参考文献：
  名称：

  Baas,J.M.A.; Wepster,B.M., Recueil des Travaux Chimiques des Pays-Bas, 1967, vol. 86, p. 69 - 79

  摘要：

  DOI：

文献信息

• Disubstituted lavendustin A analogs and pharmaceutical compositions comprising the analogs
  申请人：THE UNITED STATES GOVERNMENT as represented by THE DEPARTMENT OF HEALTH AND HUMAN SERVICES

  公开号：EP1367046A9

  公开（公告）日：2004-05-12

  Disubstituted lavendustin A analogs that are PTK inhibitors having antiproliferative activity are described. Preferred compounds of the present invention, without limitation, satisfy either Formula 1 or Formula 2. Currently preferred compounds ,based on in vivo biological activity, are 4'-adamantylbenzoate-1'-N-1,4-dihydroxybenzylamine and 4'-adamantylmethylbenzoate-1'-N-1,4-dihydroxybenzylamine. The present invention also provides pharmaceutical compositions comprising effective amounts of disubstituted lavendustin A analogs. Such compositions also may comprise other active ingredients, other materials conventionally used in the formulation of pharmaceutical composition, and mixtures thereof. The compounds and compositions of the present invention can be used for treating subjects to, for example, inhibit the proliferation of living cells in the treatment of proliferative diseases.

  描述了具有抗增殖活性的PTK抑制剂的二取代拉文杜斯汀A类似物。本发明的优选化合物，不受限于，满足Formula 1或Formula 2中的任一种。根据体内生物活性，目前优选的化合物是4'-金刚烷基苯甲酸酯-1'-N-1,4-二羟基苯乙胺和4'-金刚烷基甲基苯甲酸酯-1'-N-1,4-二羟基苯乙胺。本发明还提供了含有二取代拉文杜斯汀A类似物有效量的药物组合物。这种组合物还可以包括其他活性成分、传统用于制备药物组合物的其他材料以及它们的混合物。本发明的化合物和组合物可用于治疗受试者，例如，在治疗增殖性疾病中抑制活细胞的增殖。
• Disubstituted lavendustin a analogs and pharmaceutical compositions comprising the analogs
  申请人：THE UNITED STATES GOVERNMENT as represented by THE DEPARTMENT OF HEALTH AND HUMAN SERVICES

  公开号：EP1367046A1

  公开（公告）日：2003-12-03

  Disubstituted lavendustin A analogs that are PTK inhibitors having antiproliferative activity are described. Preferred compounds of the present invention, without limitation, satisfy either Formula 1 or Formula 2. Currently preferred compounds ,based on in vivo biological activity, are 4'-adamantylbenzoate-1'-N-1,4-dihydroxybenzylamine and 4'-adamantylmethylbenzoate-1'-N-1,4-dihydroxybenzylamine. The present invention also provides pharmaceutical compositions comprising effective amounts of disubstituted lavendustin A analogs. Such compositions also may comprise other active ingredients, other materials conventionally used in the formulation of pharmaceutical composition, and mixtures thereof. The compounds and compositions of the present invention can be used for treating subjects to, for example, inhibit the proliferation of living cells in the treatment of proliferative diseases.

  本发明描述了具有抗增殖活性的 PTK 抑制剂--二取代的拉芬多汀 A 类似物。本发明的优选化合物不限于满足式 1 或式 2。根据体内生物活性，目前优选的化合物是 4'-金刚烷基苯甲酸-1'-N-1,4-二羟基苄胺和 4'-金刚烷基甲基苯甲酸-1'-N-1,4-二羟基苄胺。本发明还提供了包含有效量的二取代拉芬多汀 A 类似物的药物组合物。此类组合物还可包含其他活性成分、用于配制药物组合物的其他常规材料及其混合物。本发明的化合物和组合物可用于治疗受试者，例如在治疗增殖性疾病时抑制活细胞的增殖。
• DISUBSTITUTED LAVENDUSTIN A ANALOGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE ANALOGS
  申请人：THE UNITED STATES GOVERNMENTas represented byTHE DEPARTMENTOF HEALTH AND HUMAN SERVICES

  公开号：EP1060160A2

  公开（公告）日：2000-12-20
• US6943191B1
  申请人：——

  公开号：US6943191B1

  公开（公告）日：2005-09-13
• [EN] DISUBSTITUTED LAVENDUSTIN A ANALOGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE ANALOGS<br/>[FR] ANALOGUES DE LAVENDUSTINE A DISUBSTITUES ET COMPOSITIONS PHARMACEUTIQUES CONTENANT CES ANALOGUES
  申请人：——

  公开号：WO1999043636A2

  公开（公告）日：1999-09-02

  [EN] Disubstituted lavendustin A analogs that are PTK inhibitors having antiproliferative activity are described. Preferred compounds of the present invention, without limitation, satisfy either Formula 1 or Formula 2. Currently preferred compounds, based on in vivo biological activity, are 4'-adamantylbenzoate-1'-N-1,4-dihydroxybenzylamine and 4'-adamantylmethylbenzoate-1'-N-1,4-dihydroxybenzylamine. The present invention also provides pharmaceutical compositions comprising effective amounts of disubstituted lavendustin A analogs. Such compositions also may comprise other active ingredients, other materials conventionally used in the formulation of pharmaceutical compositions, and mixtures thereof. The compounds and compositions of the present invention can be used for treating subjects to, for example, inhibit the proliferation of living cells in the treatment of proliferative diseases.
  [FR] L'invention concerne des analogues de lavendustine A disubstitués qui sont des inhibiteurs de PTK (Protéine Tyrosine Kinase) possédant une activité antiproliférative. De préférence, les composés de la présente invention correspondent, sans restriction, soit à la formule 1, soit à la formule 2. Les composés préférés actuellement, sur la base d'une activité biologique in vivo sont 4'-adamantylbenzoate-1'-N-1,4-dihydroxybenzylamine et 4'-adamantylméthylbenzoate-1'-N-1,4-dihydroxybenzylamine. La présente invention concerne également des compositions pharmaceutiques comprenant des quantités effectives d'analogues de lavendustine A disubstitués. Ces compositions peuvent également comprendre d'autres ingrédients actifs, d'autres matières s'utilisant en général dans la formulation de compositions pharmaceutiques et leurs mélanges. les composés et compositions de la présente invention peuvent s'utiliser pour le traitement de sujets afin, par exemple, d'inhiber la prolifération de cellules vivantes dans le traitement de maladies prolifératives.