5,6-二羟基-5,6-二氢苯并[b][1]苯并氮杂卓-11-甲酰胺 | 35079-97-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 中文名称: 5,6-二羟基-5,6-二氢苯并[b][1]苯并氮杂卓-11-甲酰胺
• 中文别名: 奥卡西平杂质
• 英文名称: 10,11-dihydro-10,11-dihydroxy carbamazepine
• 英文别名: 10,11-dihydroxycarbamazepine；10,11 dihydro 10,11 dihydroxy 5h dibenz[b,f]azepine 5 carboxamide；Dihydroxycarbazepine；5,6-dihydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
• CAS: 35079-97-1
• 化学式: C₁₅H₁₄N₂O₃
• 分子量: 270.288
• InChiKey: PRGQOPPDPVELEG-UHFFFAOYSA-N

物化性质

• 熔点：
  208-210?C
• 沸点：
  441.4±55.0 °C(Predicted)
• 密度：
  1.443±0.06 g/cm3(Predicted)
• 溶解度：
  DMSO：可溶；甲醇：可溶

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  86.8
• 氢给体数：
  3
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为产物：
  描述：

  卡马西平 在 叔丁基过氧化氢 、 碘苯二乙酸 、 Mn^IIIBr₈T4CMPPCl 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 5,6-二羟基-5,6-二氢苯并[b][1]苯并氮杂卓-11-甲酰胺
  参考文献：
  名称：

  Carbamazepine oxidation catalyzed by manganese porphyrins: Effects of the β-bromination of the macrocycle and the choice of oxidant

  摘要：

  Carbamazepine (CBZ), which is one of the most commonly prescribed antiepileptic drugs and also used in the treatment of trigeminal neuralgia and psychiatric disorders, is metabolized primarily by the cytochromes P450. A homologous series of beta-brominated porphyrins derived from 5,10,15,20-tetrakis(4-carbomethoxyphenyl)porphyrinatomanganese(III) chloride, i.e., Mn(III)(BrxTCMPP)Cl(x = 0, 2, 4, 6, and 8), was investigated as cytochrome P450 models for CBZ oxidation in CH2Cl2 by iodosylbenzene, iodobenzene diacetate, tert-butyl hydroperoxide, meta-chloroperoxybenzoic acid, and hydrogen peroxide. Unlike previous studies on metalloporphyrin-based CBZ oxidation, which yielded CBZ epoxide (CBZ-EP) as the sole product, the Mn(III)(BrxTCMPP)Cl systems catalyzed both the oxidation of CBZ to CBZ-EP and the formation of the respective vicinal diol, CBZ-DiOH. The influence of beta-bromination of the macrocycle and the choice of the oxidant on the catalytic properties of the Mn(Ill)(BrxTCMPP)Cl(x = 0, 2, 4, 6, and 8) series were examined. Some partially beta-brominated Mn-porphyrins surpass the corresponding octabrominated analogue in efficiency and selectivity, but the extent by which the beta-bromination affects the catalytic activity depends on the choice of oxidant. The selectivity for CBZ oxidation to yield the respective epoxide reached 100% or similar to 94% by using tert-butyl hydroperoxide or hydrogen peroxide as oxygen donors. respectively. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.apcata.2011.09.001

文献信息

• Generically binding antibodies with multiple applications
  申请人：Randox Laboratories Ltd.

  公开号：EP2535333A1

  公开（公告）日：2012-12-19

  The invention relates to the detection and quantification of carbamazepine drugs and their metabolites. The invention is underpinned by novel polyclonal antibodies with unique binding properties which enable immunoassay methods and kits for various applications.

  本发明涉及卡马西平药物及其代谢物的检测和定量。本发明以具有独特结合特性的新型多克隆抗体为基础，可用于各种应用的免疫测定方法和试剂盒。
• Chloroperoxidase-catalyzed degradation of pharmaceutical pollutants in wastewater
  申请人：Wang Xiaotang

  公开号：US10301203B2

  公开（公告）日：2019-05-28

  The present invention provides efficient, economical, and environmentally-friendly compositions and methods for removing pollutants from water sources. In particular embodiments, the present invention provides compositions and methods for catalyzing the degradation of pharmaceutical pollutants in wastewater using the enzyme chloroperoxidase (CPO). Another embodiment provides a method of degrading pollutants in wastewater and other water sources. In specific embodiments, the claimed composition and method can be used to degrade pharmaceutical pollutants selected from the group consisting of: acetaminophen, carbamazepine, sulfamethazine, diclofenac, and naproxen.

  本发明提供了从水源中去除污染物的高效、经济和环保的组合物和方法。在具体的实施方案中，本发明提供了利用氯过氧化物酶（CPO）催化降解废水中制药污染物的组合物和方法。另一个实施方案提供了一种降解废水和其他水源中污染物的方法。在具体的实施方案中，本发明所述的组合物和方法可用于降解选自对乙酰氨基酚、卡马西平、磺胺甲噁嗪、双氯芬酸和萘普生的药物污染物。
• Carbamazepine oxidation catalyzed by manganese porphyrins: Effects of the β-bromination of the macrocycle and the choice of oxidant
  作者：Dayse CarvalhoDa-Silva、Tatiana Cristina Oliveira Mac Leod、André Luiz de Faria、Joicy Santamalvina dos Santos、Maria Eliza Moreira Dai de Carvalho、Júlio Santos Rebouças、Ynara Marina Idemori、Marilda das Dores Assis

  DOI：10.1016/j.apcata.2011.09.001

  日期：2011.11

  Carbamazepine (CBZ), which is one of the most commonly prescribed antiepileptic drugs and also used in the treatment of trigeminal neuralgia and psychiatric disorders, is metabolized primarily by the cytochromes P450. A homologous series of beta-brominated porphyrins derived from 5,10,15,20-tetrakis(4-carbomethoxyphenyl)porphyrinatomanganese(III) chloride, i.e., Mn(III)(BrxTCMPP)Cl(x = 0, 2, 4, 6, and 8), was investigated as cytochrome P450 models for CBZ oxidation in CH2Cl2 by iodosylbenzene, iodobenzene diacetate, tert-butyl hydroperoxide, meta-chloroperoxybenzoic acid, and hydrogen peroxide. Unlike previous studies on metalloporphyrin-based CBZ oxidation, which yielded CBZ epoxide (CBZ-EP) as the sole product, the Mn(III)(BrxTCMPP)Cl systems catalyzed both the oxidation of CBZ to CBZ-EP and the formation of the respective vicinal diol, CBZ-DiOH. The influence of beta-bromination of the macrocycle and the choice of the oxidant on the catalytic properties of the Mn(Ill)(BrxTCMPP)Cl(x = 0, 2, 4, 6, and 8) series were examined. Some partially beta-brominated Mn-porphyrins surpass the corresponding octabrominated analogue in efficiency and selectivity, but the extent by which the beta-bromination affects the catalytic activity depends on the choice of oxidant. The selectivity for CBZ oxidation to yield the respective epoxide reached 100% or similar to 94% by using tert-butyl hydroperoxide or hydrogen peroxide as oxygen donors. respectively. (C) 2011 Elsevier B.V. All rights reserved.