(2-chloro-6-nitro-phenyl)-pyruvic acid | 36892-19-0

• 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: (2-chloro-6-nitro-phenyl)-pyruvic acid
• 英文别名: (2-Chlor-6-nitro-phenyl)-brenztraubensaeure；2-Oxo-3-(6-chlor-2-nitro-phenyl)-propionsaeure；2-chloro-6-nitro-α-oxo-benzenepropanoic acid；3-<6-Chlor-2-nitro-phenyl>-brenztraubensaeure；3-(2-Chloro-6-nitrophenyl)-2-oxopropanoic acid
• CAS: 36892-19-0
• 化学式: C₉H₆ClNO₅
• 分子量: 243.603
• InChiKey: ZHHGJIKNTVWZTL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2918300090

反应信息

• 作为反应物：
  描述：

  (2-chloro-6-nitro-phenyl)-pyruvic acid 在 喹啉 、 ammonium hydroxide 、 iron hydroxide 、 copper(l) chloride 作用下， 生成 4-氯吲哚
  参考文献：
  名称：

  Uhle, Journal of the American Chemical Society, 1949, vol. 71, p. 761,763

  摘要：

  DOI：
• 作为产物：
  描述：

  ethyl 3-(2-chloro-6-nitrophenyl)-2-oxopropanoate 在 盐酸 作用下， 生成 (2-chloro-6-nitro-phenyl)-pyruvic acid
  参考文献：
  名称：

  Indoline analogs of idazoxan: potent .alpha.2-antagonists and .alpha.1-agonists

  摘要：

  The synthesis and alpha-adrenergic activity of a series of substituted 2-imidazolinylindolines are described. Substitution in the indoline ring generated compounds with a spectrum of adrenoceptor antagonist/agonist profiles that proved sensitive to both the nature and position of the substituent. Many of the derivatives possess greater presynaptic antagonist potency than the corresponding benzodioxan 1, dihydrobenzofuran 2, and indan 3 analogues; however, this alpha 2-antagonism is often accompanied by alpha 1-agonist activity. It was not possible to separate alpha 2-antagonist from alpha 1-agonist properties in this series. Compounds of most interest proved to be the N-ethyl 6, 5-chloro-N-methyl 18, and 5-chloro-N-ethyl 23 derivatives, all being potent alpha 2-antagonists and alpha 1-agonists. Substitution at the 4- and 7-position of the indoline ring generally gave compounds with nonselective agonist properties.

  DOI：

  10.1021/jm00400a009

文献信息

• 220. Addition reactions of heterocyclic compounds. Part X. Products from 1-alkylpyrroles and dimethyl acetylenedicarboxylate, and the synthesis of some indolecarboxylic esters
  作者：R. M. Acheson、J. M. Vernon

  DOI：10.1039/jr9620001148

  日期：——
• Different sensitivities to competitive inhibition of benzodiazepine receptor binding of11C-iomazenil and11C-flumazenil in rhesus monkey brain
  作者：Osamu Inoue、Rie Hosoi、Kaoru Kobayashi、Takashi Itoh、Antony Gee、Kazutoshi Suzuki

  DOI：10.1007/bf02988604

  日期：2001.4

  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.
• [EN] SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE<br/>[FR] COMPOSÉS D'AMINOPYRIMIDINE SUBSTITUÉE ET PROCÉDÉS D'UTILISATION
  申请人：CALITOR SCIENCES LLC

  公开号：WO2015042497A2

  公开（公告）日：2015-03-26

  The invention relates to the preparation and use of new aminopyrimidine derivatives as drug candidates in free form or in pharmaceutically acceptable salt form and formulations thereof for the modulation of a disorder or disease which is mediated by the activity of the P13K enzymes. The invention also provides pharmaceutically acceptable compositions comprising such compounds and methods of using the compositions in the treatment of disorders or diseases, such as disorders of immunity and inflammation in which P13K enzymes play a role in leukocyte function, and hyperproliferative disorders associated with P13K activity, including but not restricted to leukemias and solid tumors, in mammals, especially humans.
• Uhle, Journal of the American Chemical Society, 1949, vol. 71, p. 761,763
  作者：Uhle

  DOI：——

  日期：——
• Indoline analogs of idazoxan: potent .alpha.2-antagonists and .alpha.1-agonists
  作者：Gay P. Fagan、Christopher B. Chapleo、Anthony C. Lane、Malcolm Myers、Alan G. Roach、Colin F. C. Smith、Michael R. Stillings、Anthony P. Welbourn

  DOI：10.1021/jm00400a009

  日期：1988.5

  The synthesis and alpha-adrenergic activity of a series of substituted 2-imidazolinylindolines are described. Substitution in the indoline ring generated compounds with a spectrum of adrenoceptor antagonist/agonist profiles that proved sensitive to both the nature and position of the substituent. Many of the derivatives possess greater presynaptic antagonist potency than the corresponding benzodioxan 1, dihydrobenzofuran 2, and indan 3 analogues; however, this alpha 2-antagonism is often accompanied by alpha 1-agonist activity. It was not possible to separate alpha 2-antagonist from alpha 1-agonist properties in this series. Compounds of most interest proved to be the N-ethyl 6, 5-chloro-N-methyl 18, and 5-chloro-N-ethyl 23 derivatives, all being potent alpha 2-antagonists and alpha 1-agonists. Substitution at the 4- and 7-position of the indoline ring generally gave compounds with nonselective agonist properties.