6-chloro-2[(3-chloro-4-methoxyphenyl)amino]-3-nitrobenzoic acid | 99009-70-8

• 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: 6-chloro-2[(3-chloro-4-methoxyphenyl)amino]-3-nitrobenzoic acid
• 英文别名: 6-Chloro-2-[(3-chloro-4-methoxyphenyl)amino]-3-nitrobenzoic acid；6-chloro-2-(3-chloro-4-methoxyanilino)-3-nitrobenzoic acid
• CAS: 99009-70-8
• 化学式: C₁₄H₁₀Cl₂N₂O₅
• 分子量: 357.15
• InChiKey: GYEPLJFVOCAPOF-UHFFFAOYSA-N

物化性质

• 沸点：
  473.5±45.0 °C(Predicted)
• 密度：
  1.568±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  6-chloro-2[(3-chloro-4-methoxyphenyl)amino]-3-nitrobenzoic acid 在 N,N-二甲基苯胺 、 三氯氧磷 作用下， 以 四氢呋喃 、 1,2-二氯乙烷 为溶剂， 反应 20.0h， 生成 2-(3-chloro-4-methoxy-10-nitro-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-14-yl)-N,N-diethylethanamine
  参考文献：
  名称：

  2-(Aminoalkyl)-5-nitropyrazolo[3,4,5-kl]acridines, a new class of anticancer agents

  摘要：

  2-(Aminoalkyl)-5-nitropyrazolo[3,4,5-kl]acridines were prepared from substituted anilines via the 1-chloro-4-nitroacridones followed by condensation with [(alkylamino)alkyl]hydrazines. Impressive activity was demonstrated for the 9-hydroxy, 9-alkoxy, and 9-acyloxy analogs in vitro on a L1210 leukemia line and in vivo against the P388 leukemia. Advanced studies led to the selection of 3bbb for clinical trial.

  DOI：

  10.1021/jm00104a001
• 作为产物：
  描述：

  2,6-二氯-3-硝基苯甲酸 生成 6-chloro-2[(3-chloro-4-methoxyphenyl)amino]-3-nitrobenzoic acid
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Pyrazolo[3,4,5-kl]acridine compositions and methods for their production
  申请人：Warner-Lambert Company

  公开号：US04555572A1

  公开（公告）日：1985-11-26

  Pyrazolo[3,4,5-kl]acridines are described as antibacterial agents and antitumor agents as well as pharmaceutical compositions and methods for their preparation.

  吡唑并[3,4,5-kl]蒽啉被描述为抗菌剂和抗肿瘤剂，以及它们的制备方法和药物组合物。
• Substituted 1-amino-4-nitro-acridinones and methods of treating
  申请人：Warner-Lambert Company

  公开号：US04626540A1

  公开（公告）日：1986-12-02

  Substituted 1-amino-4-nitroacridinones, their method of manufacture, pharmaceutical compositions and their use as antibacterial and antitumor agents are herein described.

  本文描述了1-氨基-4-硝基蒽醌酮及其制备方法、药物组合物以及作为抗菌和抗肿瘤剂的用途。
• Pyrazolo[3,4,5-k1]acridine compositions and methods for their use as
  申请人：Warner-Lambert Company

  公开号：US04588730A1

  公开（公告）日：1986-05-13

  Pyrazolo[3,4,5-k1]acridines are described as antibacterial agents and antitumor agents as well as pharmaceutical compositions and methods for their preparation.

  Pyrazolo[3,4,5-k1]acridines被描述为抗菌剂和抗肿瘤剂，以及药物组合物和其制备方法。
• Method of treating leukemia with pyrazolo[3,4,5-kl]acridines
  申请人：Warner-Lambert Company

  公开号：US04621086A1

  公开（公告）日：1986-11-04

  Pyrazolo[3,4,5-kl]acridines are described as antibacterial agents and antitumor agents as well as pharmaceutical compositions and methods for their preparation.

  Pyrazolo[3,4,5-kl]acridines被描述为抗菌剂和抗肿瘤剂，以及其制备的药物组合物和方法。
• Substituted 1-amino-4-nitro-acridinones, pharmaceutical compositions comprising the same and processes for their production
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0145226A2

  公开（公告）日：1985-06-19

  Substituted 1-Amino-4-nitroacridinones of formula as antibacterial and antitumor agents are herein described. Also disclosed are processes for their production and pharmaceutical compositions comprising the new compounds.

  式中的取代的 1-氨基-4-硝基吖啶酮作为抗菌剂和抗肿瘤剂在此被描述。 作为抗菌剂和抗肿瘤剂。此外，还公开了其生产工艺和包含这些新化合物的药物组合物。