3-bromo-2-hydroxyimino-propionic acid ethyl ester | 134288-26-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3-bromo-2-hydroxyimino-propionic acid ethyl ester
• 英文别名: ethyl 2-(hydroxyimino)-3-bromopropanoate；ethyl bromopyruvate oxime；ethyl 3-bromo-2-hydroxyiminopropionate；3-bromo-2-hydroxyiminopropionic acid ethyl ester；(E)-ethyl 3-bromo-2-(hydroxyimino)propanoate；Ethyl 3-bromo-2-(hydroxyimino)propanoate；ethyl (2E)-3-bromo-2-hydroxyiminopropanoate
• CAS: 134288-26-9
• 化学式: C₅H₈BrNO₃
• 分子量: 210.027
• InChiKey: ZKBUGUZPMZDNRT-DAXSKMNVSA-N

物化性质

• 沸点：
  264.8±42.0 °C(Predicted)
• 密度：
  1.61±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  58.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-bromo-2-hydroxyimino-propionic acid ethyl ester 在 4-甲基苯磺酸吡啶 作用下， 以 四氢呋喃 、 二氯甲烷 、 苯 为溶剂， 反应 39.0h， 生成 <2-(ethoxycarbonyl)-2-<(2-tetrahydropyranyloxy)imino>ethyl>triphenylphosphonium bromide
  参考文献：
  名称：

  Boger, Dale L.; Corbett, Wendy L.; Curran, Timothy T., Journal of the American Chemical Society, 1991, vol. 113, # 5, p. 1713 - 1729

  摘要：

  DOI：
• 作为产物：
  描述：

  3-溴丙酮酸乙酯 在 盐酸羟胺 作用下， 以 二氯甲烷 、 氯仿 、 水 为溶剂， 生成 3-bromo-2-hydroxyimino-propionic acid ethyl ester
  参考文献：
  名称：

  Kinase inhibitors

  摘要：

  具有以下化学式的化合物对抑制蛋白激酶很有用。还公开了抑制蛋白激酶的组合物以及在患者中抑制蛋白激酶的方法。

  公开号：

  US20030187026A1

文献信息

• Synthesis of potential inhibitors of GTP-cyclohydrolase I: an efficient synthesis of 8-substituted 7-deazaguanines
  作者：Colin L. Gibson、Klaus Paulini、Colin J. Suckling

  DOI：10.1039/a608297a

  日期：——

  A novel two step synthesis of 8-substituted 7-deazaguanines is developed and involves the regioselective alkylation of pyrimidinones 1a and 1b with nitrosoalkenes derived from α-halo oximes followed by transoximation to give the 7-deazaguanines 6a–d in 41–65% overall yield

  开发了一种新颖的两步合成8-取代-7-脱氮鸟嘌呤的方法，该方法包括选择性烷基化嘧啶酮1a和1b与由α-卤代肟衍生的亚硝基烯烃的反应，随后进行转肟反应，以总产率41-65%得到7-脱氮鸟嘌呤6a-d。
• Pyruvate derivatives
  申请人：——

  公开号：US20030013656A1

  公开（公告）日：2003-01-16

  Certain known and novel pyruvate derivatives are particularly active in restoring or preserving metabolic integrity in oxidatively competent cells that have been subjected to oxygen deprivation. These pyruvate-derived compounds include, but are not limited to oximes, amides, pyruvate analogues, modified pyruvate analogues, esters of pyruvate (e.g., polyol-pyruvate esters, pyruvate thioesters, glycerol-pyruvate esters and dihydroxyacetone-pyruvate esters). Such pyruvate derivatives (including single tautomers, single stereoisomers and mixtures of tautomers and/or stereoisomers, and the pharmaceutically acceptable salts thereof) are useful in the manufacture of pharmaceutical compositions for treating a number of conditions characterized by oxidative stress.

  某些已知和新颖的丙酮酸衍生物在恢复或保护已经遭受氧气剥夺的氧化能力细胞的代谢完整性方面特别活跃。这些由丙酮酸衍生的化合物包括但不限于肟、酰胺、丙酮酸类似物、改性丙酮酸类似物、丙酮酸酯（例如，聚醇丙酮酸酯、丙酮酸硫酯、甘油丙酮酸酯和二羟基丙酮酸酯）。这些丙酮酸衍生物（包括单重构体、单立体异构体和重构体和/或立体异构体混合物以及其药用可接受的盐）可用于制造用于治疗多种由氧化应激特征的疾病的药物组合物。
• Process of preparing proline derivatives
  申请人：Hoechst Aktiengesellschaft

  公开号：US04849524A1

  公开（公告）日：1989-07-18

  The invention relates to a process for preparing compounds of the formula I ##STR1## in which R stands for hydrogen, alkyl or aralkyl and R.sup.1 to R.sup.5 are identical or different radicals, (substituted) alkyl, cycloalkyl or (substituted) aryl or in which the pairs of radicals R.sup.1 and R.sup.2, R.sup.2 and R.sup.3, and R.sup.4 and R.sup.5 together with the carbon atom(s) supporting them form a mono- or bicyclic ring system and the other radicals are hydrogen, by treating a compound of the formula II ##STR2## in which R and R.sup.1 and R.sup.5 have the abovementioned meaning and R.sup.6 and R.sup.7 denote alkyl or aralkyl or together with the nitrogen atom supporting them form a heterocycle which can additionally contain an oxygen atom, with a reducing agent.

  本发明涉及一种制备式I的化合物的过程：##STR1## 其中，R表示氢、烷基或芳基烷基，R1至R5是相同或不同的基团，（取代）烷基、环烷基或（取代）芳基，或者其中基团R1和R2、R2和R3，以及R4和R5与支持它们的碳原子一起形成单环或双环环系统，而其他基团为氢。该过程通过用还原剂处理式II的化合物实现：##STR2## 其中，R和R1和R5具有上述含义，而R6和R7表示烷基或芳基烷基，或者与支持它们的氮原子一起形成一个杂环，该杂环可以额外包含一个氧原子。
• Hetero-Diels-Alder Reaction of Ethyl 2-Nitrosoacrylate and Cyclohexadienes, and Bromine Induced Diene Isomerization
  作者：Yong-Cheng Lin、Jian Song、Yau Shan Szeto、Wing Lai Chan

  DOI：10.3987/com-06-10737

  日期：——

  2-oxazine (3a) and bicyclic 7-methoxy-l,2-oxazine (3b) were prepared via Hetero-Diels-Alder reaction between 1-methoxy-1,4-cyclohexadiene (2a) and ethyl 2-nitrosoacrylate generated in situ from ethyl bromopyruvate oxime (1). The formation of 3b was ascribed to bromine, released from 1, which induced transformation of 2a to 1-methoxy-1,3-cyclohexadiene (2b). 3b could be easily transformed to oxazinone (3c)

  通过 1-甲氧基-1,4-环己二烯 (2a) 和由溴丙酮酸乙酯肟 (1) 原位生成的 2-亚硝基丙烯酸乙酯。3b 的形成归因于溴，从 1 中释放出来，它诱导 2a 转化为 1-甲氧基-1,3-环己二烯 (2b)。在CHCl 3 或其他有机溶剂中，在微量酸的存在下，3b 可以很容易地转化为恶嗪酮(3c)。
• Compound 2-amino-3-&lsqb;2-(&agr;-mannopyranosyl)indol-3-yl&rsqb;propionic acid, process for preparing the same, and method for inspecting function of living body with the novel compound
  申请人：Kyowa Medex Co., Ltd.

  公开号：US06610502B1

  公开（公告）日：2003-08-26

  The present invention relates to a novel endogenous compound 2-amino-3-[2-(&agr;-mannopyranosyl)indole-3-yl]propionic acid; to a method for testing a biological function by quantitating 2-amino-3-[2-(&agr;-mannopyranosyl)indole-3-yl]propionic acid in a collected biological sample and determining the biological function based on the quantitated values; to an antibody specifically reactive with 2-amino-3-[2-(&agr;-mannopyranosyl)indole-3-yl]propionic acid; to a hybridoma that produces the antibody; to a method for immunologically quantitating 2-amino-3-[2-(&agr;-mannopyranosyl)indole-3-yl]propionic acid in a sample by using the antibody; and to a process for producing a 2-amino-3-[2-(&agr;-mannopyranosyl)indole-3-yl]propionic acid derivative.

  本发明涉及一种新的内源性化合物2-氨基-3-[2-(α-甘露糖苷基)吲哚-3-基]丙酸；一种通过定量收集的生物样品中的2-氨基-3-[2-(α-甘露糖苷基)吲哚-3-基]丙酸并根据定量值确定生物功能的测试生物功能的方法；一种特异性与2-氨基-3-[2-(α-甘露糖苷基)吲哚-3-基]丙酸反应的抗体；一种产生该抗体的杂交瘤；一种使用该抗体免疫学定量检测样品中的2-氨基-3-[2-(α-甘露糖苷基)吲哚-3-基]丙酸的方法；以及一种制备2-氨基-3-[2-(α-甘露糖苷基)吲哚-3-基]丙酸衍生物的方法。