2-(2-甲基-6-硝基苯基)乙酸 | 23876-18-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(2-甲基-6-硝基苯基)乙酸
• 英文名称: (6-Methyl-2-nitrophenyl)essigsaeure
• 英文别名: 2-methyl-6-nitrobenzeneacetic acid；(2-Methyl-6-nitro-phenyl)-essigsaeure；<2-Methyl-6-nitro-phenyl>-essigsaeure；(2-methyl-6-nitro-phenyl)-acetic acid；2-(2-Methyl-6-nitrophenyl)acetic acid
• CAS: 23876-18-8
• 化学式: C₉H₉NO₄
• 分子量: 195.175
• InChiKey: WFKNETIJXXWRHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  83.1
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2916399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  室温且干燥

反应信息

• 作为反应物：
  描述：

  2-(2-甲基-6-硝基苯基)乙酸 在 palladium 10% on activated carbon 哌啶 、 N-氯代丁二酰亚胺 、 氢气 、 三氟乙酸 作用下， 以 甲醇 、 乙醇 、 乙腈 为溶剂， 反应 76.0h， 生成 3-[5-(5-Chloro-4-methyl-2-oxo-1,2-dihydroindol-3-ylidenemethyl)-4-methyl-1H-pyrrol-3-yl]-propionic acid
  参考文献：
  名称：

  Formulations for pharmaceutical agents ionizable as free acids or free bases

  摘要：

  本发明涉及吲哚酮的配方，这些化合物作为游离酸或游离碱是可离子化的。该配方适用于静脉或口服给药，其中配方包括可离子化的取代吲哚酮和其药用可接受载体。术语“可离子化的取代吲哚酮”包括吡咯取代的2-吲哚酮，除了在化合物的吡咯和2-吲哚酮部分上可选择地被取代外，必须在吡咯基上用一个或多个烃链取代，这些烃链本身被至少一个极性基团取代。如本文所述，这些配方和化合物本身对于治疗蛋白激酶相关疾病是有用的。

  公开号：

  US06878733B1
• 作为产物：
  描述：

  3-硝基邻二甲苯 在 sodium hydroxide 、 乙醇 、 双氧水 、 sodium methylate 作用下， 生成 2-(2-甲基-6-硝基苯基)乙酸
  参考文献：
  名称：

  Different sensitivities to competitive inhibition of benzodiazepine receptor binding of11C-iomazenil and11C-flumazenil in rhesus monkey brain

  摘要：

  The in vivo binding kinetics of C-11-iomazenil were compared with those of C-11-flumazenil binding in rhesus monkey brain. The monkey was anesthetized with ketamine and intravenously injected with either C-11-iomazenil or C-11-flumazenil in combination with the coadministration of different doses of non-radioactive flumazenil (0, 5 and 20 mug/kg). The regional distribution of C-11-iomazenil in the brain was similar to that of C-11-flumazenil. but the sensitivity of C-11-iomazenil binding to competitive inhibition by non-radioactive flumazenil was much less than that of C-11-flumazenil binding. A significant reduction in C-11-flumazenil binding in the cerebral cortex was observed with 20 mug/kg of flumazenil, whereas a relatively smaller inhibition of C-11-iomazenil binding in the same region was observed with the same dose of flumazenil. These results suggest that C-11-flumazenil may be a superior radiotracer for estimating benzodiazepine receptor occupancy in the intact brain.

  DOI：

  10.1007/bf02988604

文献信息

• 3-heteroarylidene-2-indolinone protein kinase inhibitors
  申请人：Sugen, Inc.

  公开号：US06486185B1

  公开（公告）日：2002-11-26

  The present invention relates to novel 3-heteroarylidene-2-indolinone compounds and physiologically acceptable salts thereof which modulate the activity of protein kinases and therefore are expected to be useful in the prevention and treatment of protein kinase related cellular disorders such as cancer.

  本发明涉及新颖的3-杂环亚烯基-2-吲哚酮化合物及其生理上可接受的盐，这些化合物调节蛋白激酶的活性，因此预计在预防和治疗蛋白激酶相关的细胞疾病，如癌症方面具有用处。
• 3-(cycloalkanoheteroarylidenyl)-2-indolinone protein tyrosine kinase inhibitors
  申请人：Sugen, Inc.

  公开号：US06350754B2

  公开（公告）日：2002-02-26

  The present invention relates to novel 3-(cycloalkano-heteroarylidenyl)-2-indolinone compounds and physiologically acceptable salts and prodrugs thereof which are expected to modulate the activity of protein tyrosine kinases and therefore to be useful in the prevention and treatment of protein tyrosine kinase related cellular disorders such as cancer.

  本发明涉及新颖的3-(环烷基-杂环芳基亚亚甲基)-2-吲哚酮化合物及其生理上可接受的盐和前药，预计这些化合物可以调节蛋白酪氨酸激酶的活性，因此在预防和治疗蛋白酪氨酸激酶相关的细胞疾病，如癌症方面具有用处。
• 3-(Piperazinylbenzylidenyl)-2-indolinone compounds and derivatives as protein tyrosine kinase inhibitors
  申请人：SUGEN, Inc.

  公开号：US20030069421A1

  公开（公告）日：2003-04-10

  The present invention relates to novel 3-(piperazinyl-benylidenyl)-2-indolinone compounds and derivatives and physiologically acceptable salts thereof which are expected to modulate the activity of protein tyrosine kinases and therefore to be useful in the prevention and treatment of protein tyrosine kinase related cellular disorders such as cancer.

  本发明涉及新颖的3-(哌嗪基苄亚基)-2-吲哚酮化合物及其衍生物和生理上可接受的盐，预计这些化合物可以调节蛋白酪氨酸激酶的活性，因此在预防和治疗蛋白酪氨酸激酶相关的细胞疾病，如癌症方面具有用处。
• 3-(cycloalkanoheteroarylidenyl)-2- indolinone protein tyrosine kinase
  申请人：Sugen, Inc.

  公开号：US06051593A1

  公开（公告）日：2000-04-18

  The present invention relates to novel 3-(cycloalkanoheteroarylidenyl)-2-indolinone compounds and physiologically acceptable salts and prodrugs thereof which are expected to modulate the activity of protein tyrosine kinases and therefore to be useful in the prevention and treatment of protein tyrosine kinase related cellular disorders such as cancer.

  本发明涉及新颖的3-(环烷基杂环芳基亚亚基)-2-吲哚酮化合物及其生理上可接受的盐和前药，预计能调节蛋白酪氨酸激酶的活性，因此在预防和治疗蛋白酪氨酸激酶相关的细胞疾病如癌症方面具有用处。
• 3-(cyclohexanoheteroarylidenyl)-2-indolinone protein tyrosine kinase
  申请人：Sugen, Inc.

  公开号：US06114371A1

  公开（公告）日：2000-09-05

  The present invention relates to novel 3-(cyclohexano-heteroarylidenyl)-2-indolinone compounds and physiologically acceptable salts and prodrugs thereof which are expected to modulate the activity of protein tyrosine kinases and therefore to be useful in the prevention and treatment of protein tyrosine kinase related cellular disorders such as cancer.

  本发明涉及新颖的3-(环己烯基-杂环芳基亚甲基)-2-吲哚酮化合物及其生理上可接受的盐和前药，预计能调节蛋白酪氨酸激酶的活性，因此在预防和治疗蛋白酪氨酸激酶相关的细胞疾病如癌症方面具有用处。