去甲基卡芬太尼钠 | 7036-56-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 去甲基卡芬太尼钠
• 英文名称: (±)-1-(1-phenethyl)-1H-imidazole-5-carboxylic acid
• 英文别名: 3-(1-phenyl-ethyl)-3H-imidazole-4-carboxylic acid；1-(1-phenylethyl)-1 H-imidazole-5-carboxylic acid；1-(1 phenylethyl)-1H-imidazole-5-carboxylic acid；1-(1-phenylethyl)-1H-imidazole-5-carboxylic acid；1-(1-phenylethyl)-1H-imidazole-5-carboxylate；DL-1-<1-Phenyl-aethyl>-imidazol-5-carbonsaeure；3-(1-Phenyl-ethyl)-3H-imidazole-4-carboxylic acid；3-(1-phenylethyl)imidazole-4-carboxylic acid
• CAS: 7036-56-8
• 化学式: C₁₂H₁₂N₂O₂
• mdl: MFCD00816223
• 分子量: 216.239
• InChiKey: RGYCCBLTSWHXIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  55.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  氯化亚砜 、 去甲基卡芬太尼钠 以90%的产率得到(+)-1-(1-phenylethyl)-1H-imidazole-5-carbonyl chloride hydrochloride
  参考文献：
  名称：

  Racemization of lower alkyl imidazole carboxylates

  摘要：

  在消旋形式和光学纯异构形式中制备下烷基1-(1-苯乙基)-1H-咪唑-5-羧酸酯的新方法。

  公开号：

  US03991072A1
• 作为产物：
  描述：

  (-)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic acid sodium salt 以 六甲基磷酰三胺 、 二氯甲烷 、 水 、 mineral oil 为溶剂， 生成 去甲基卡芬太尼钠
  参考文献：
  名称：

  Racemization of lower alkyl imidazole carboxylates

  摘要：

  在消旋形式和光学纯异构形式中制备下烷基1-(1-苯乙基)-1H-咪唑-5-羧酸酯的新方法。

  公开号：

  US03991072A1

文献信息

• SUBSTITUTED IMIDAZOLECARBOXYLATE DERIVATIVES AND THE USE THEREOF
  申请人：CHENGDU MFS PHARMA. CO., LTD.

  公开号：US20200369621A1

  公开（公告）日：2020-11-26

  A compound is shown in formula (I). The derivatives of the compound include a stereoisomer, a pharmaceutically acceptable salt, a solvate, a prodrug, a metabolite, a deuterated derivative. The compound is a structurally novel substituted imidazole formate derivative. Substituted imidazole formate derivatives are used in preparing a drug with sedative, hypnotic and/or anesthetic effects, as well as a drug that can control the state of epilepsy. The compound has a good inhibitory effect on the central nervous system, and provides a new option for clinical screening of and/or preparation of a drug with sedative, hypnotic and/or anesthetic effects and controlling the state of epilepsy.

  化合物在式（I）中显示。该化合物的衍生物包括立体异构体、药用可接受的盐、溶剂合物、前药、代谢物、氘代衍生物。该化合物是一种结构新颖的取代咪唑甲酸酯衍生物。取代咪唑甲酸酯衍生物用于制备具有镇静、催眠和/或麻醉作用的药物，以及可以控制癫痫状态的药物。该化合物对中枢神经系统具有良好的抑制作用，并为临床筛选和/或制备具有镇静、催眠和/或麻醉作用以及控制癫痫状态的药物提供了新选择。
• [EN] ANESTHETIC COMPOUNDS AND RELATED METHODS OF USE<br/>[FR] COMPOSÉS ANESTHÉSIQUES ET PROCÉDÉS D'UTILISATION AFFÉRENTS
  申请人：GEN HOSPITAL CORP

  公开号：WO2013106717A1

  公开（公告）日：2013-07-18

  Provided herein are compounds according to formula (I): Provided herein is also a pharmaceutical composition comprising a compound according to formula (I) and a pharmaceutically acceptable carrier, and a method for providing anesthesia in a subject by administering such a pharmaceutical composition.

  本文提供了符合以下式(I)的化合物。本文还提供了一种包含符合式(I)的化合物和药用可接受载体的药物组合物，以及通过给予受试者这种药物组合物来提供麻醉的方法。
• N-Substituted Imidazole Carboxylic Ester Chiral Compound Containing an Ether Side Chain, Its Preparation and Application
  申请人：WEST CHINA HOSPITAL, SICHUAN UNIVERSITY

  公开号：US20170001963A1

  公开（公告）日：2017-01-05

  The present invention relates to an N-substituted imidazole carboxylic ester chiral compound containing an ether side chain and to its preparation and application. The structure of this compound is represented by Formula (I). This compound can induce a rapid and reversible general anesthesia effect. Animal experiments show that this compound has rapid and short-acting pharmacological characteristics, so that it can be used as a rapid and short-acting general anesthesia medicine. Compared with etomidate, this compound can reduce the inhibition on the synthesis of adrenal cortical hormone, with an advantage of rapid and full recovery of the post-operative patient. The only chiral carbon in the compound structure belongs to the R form. This imidazole ring in the compound structure has acidifiable N atoms, so that this compound or its related pharmaceutically-acceptable salts can be used in preparation of the central inhibitory medicines, which can produce sedative, hypnotic and/or anesthetic effects on animals or human beings via their intravenous or non-intravenous administration.

  本发明涉及一种含有醚侧链的N-取代咪唑羧酸酯手性化合物及其制备和应用。该化合物的结构由公式（I）表示。该化合物可以引起迅速可逆的全身麻醉效果。动物实验表明，该化合物具有快速短效的药理特性，因此可以用作快速短效的全身麻醉药物。与依托咪酯相比，该化合物可以减少对肾上腺皮质激素合成的抑制作用，具有术后患者快速完全恢复的优势。该化合物结构中唯一的手性碳属于R型。该化合物结构中的咪唑环具有可酸化的N原子，因此该化合物或其相关的药学可接受的盐可用于制备中枢抑制药物，通过静脉或非静脉途径对动物或人类产生镇静、催眠和/或麻醉作用。
• Racemates and optical isomers of
  申请人：Janssen Pharmaceutica N.V.

  公开号：US04038286A1

  公开（公告）日：1977-07-26

  Novel methods of preparing lower alkyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylates in racemic as well as in optically pure isomeric form.

  一种制备低烷基1-(1-苯乙基)-1H-咪唑-5-羧酸酯的新方法，包括外消旋形式和光学纯异构体形式。
• Radiolabelled Phenylethyl Imidazole Carboxylic Acid Ester Derivatives
  申请人：Zolle Ilse

  公开号：US20080207916A1

  公开（公告）日：2008-08-28

  The invention relates to radioactively labeled derivatives of (R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic acid esters, uses, and methods for preparing these compounds.

  本发明涉及放射性标记的(R)-1-(1-苯乙基)-1H-咪唑-5-羧酸酯衍生物，以及这些化合物的用途和制备方法。