pancuronium | 16974-53-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: pancuronium
• 英文别名: [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
• CAS: 16974-53-1
• 化学式: C₃₅H₆₀N₂O₄
• 分子量: 572.872
• InChiKey: GVEAYVLWDAFXET-XGHATYIMSA-N

物化性质

• 物理描述：
  Solid
• 颜色/状态：
  Crystals
• 气味：
  Odorless
• 味道：
  Bitter
• 熔点：
  215 °C
• 溶解度：
  1 g sol in 30 parts chloroform, 1 part water (20 °C)
• 稳定性/保质期：
  SENSITIVE TO HEAT
• 分解：
  When heated to decomposition it emits toxic fumes of nitroxides and bromine.

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  41
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

ADMET

代谢

肝脏的。

Hepatic.

来源:DrugBank

毒理性

• 药物性肝损伤

药物名称：泮库溴铵

Compound:pancuronium

来源:Drug Induced Liver Injury Rank (DILIrank) Dataset

毒理性

• 药物性肝损伤

DILI 注释：无 DILI（药物性肝损伤）担忧

DILI Annotation:No-DILI-Concern

来源:Drug Induced Liver Injury Rank (DILIrank) Dataset

毒理性

• 药物性肝损伤

标签部分：无匹配

Label Section:No match

来源:Drug Induced Liver Injury Rank (DILIrank) Dataset

毒理性

• 药物性肝损伤

参考文献：M Chen, V Vijay, Q Shi, Z Liu, H Fang, W Tong. 用于研究药物诱导肝损伤的FDA批准药物标签，药物发现今日，16(15-16):697-703, 2011. PMID:21624500 DOI:10.1016/j.drudis.2011.05.007 M Chen, A Suzuki, S Thakkar, K Yu, C Hu, W Tong. DILIrank：按在人类中发展药物诱导肝损伤风险排名的最大参考药物清单。药物发现今日2016, 21(4): 648-653. PMID:26948801 DOI:10.1016/j.drudis.2016.02.015

References:M Chen, V Vijay, Q Shi, Z Liu, H Fang, W Tong. FDA-Approved Drug Labeling for the Study of Drug-Induced Liver Injury, Drug Discovery Today, 16(15-16):697-703, 2011. PMID:21624500 DOI:10.1016/j.drudis.2011.05.007 M Chen, A Suzuki, S Thakkar, K Yu, C Hu, W Tong. DILIrank: the largest reference drug list ranked by the risk for developing drug-induced liver injury in humans. Drug Discov Today 2016, 21(4): 648-653. PMID:26948801 DOI:10.1016/j.drudis.2016.02.015

来源:Drug Induced Liver Injury Rank (DILIrank) Dataset

毒理性

• 在妊娠和哺乳期间的影响

哺乳期使用概述：目前没有关于哺乳期间使用泮库溴铵的信息。由于它极性高且口服吸收不良，不太可能以高浓度进入母乳或进入婴儿的血液循环。当使用多种麻醉药物组合进行手术时，请遵循手术期间使用的问题最大的药物的建议。 对哺乳婴儿的影响：截至修订日期，未找到相关已发表信息。 对泌乳和母乳的影响：截至修订日期，未找到相关已发表信息。

◉ Summary of Use during Lactation:No information is available on the use of pancuronium during breastfeeding. Because it is highly polar and poorly absorbed orally, it is not likely to reach the breastmilk in high concentration or to reach the bloodstream of the infant. When a combination of anesthetic agents is used for a procedure, follow the recommendations for the most problematic medication used during the procedure. ◉ Effects in Breastfed Infants:Relevant published information was not found as of the revision date. ◉ Effects on Lactation and Breastmilk:Relevant published information was not found as of the revision date.

来源:Drugs and Lactation Database (LactMed)

吸收、分配和排泄

• 分布容积

241 到 280 毫升/千克

241 to 280 mL/kg

来源:DrugBank

吸收、分配和排泄

• 清除

血浆清除率 = 1.1–1.9 毫升/分钟/千克

Plasma cl=1.1–1.9 mL/minute/kg

来源:DrugBank

反应信息

• 作为反应物：
  描述：

  pancuronium 、 在 sodium dihydrogenphosphate 作用下， 以 水 为溶剂， 生成
  参考文献：
  名称：

  Pillar[n]MaxQ：用于水中封存的新的高亲和力寄主家庭。

  摘要：

  我们报告了柱[ n ]芳烃衍生物P[6]AS的合成、X射线晶体结构和分子识别特性，我们将其与类似物P[5]AS和P[7一起称为Pillar[6]MaxQ ]AS面向客人1 – 18。P[5]AS和P[6]AS对季（二）铵离子的超紧密结合亲和力使其成为体外和体内非共价生物共轭、成像和递送应用以及体内螯合剂的主要候选者。

  DOI：

  10.1002/anie.202005902

文献信息

• TRMT2A INHIBITORS FOR USE IN THE TREATMENT OF POLYGLUTAMINE DISEASES
  申请人：Forschungszentrum Jülich GmbH/ Abteilung RP-PT

  公开号：EP3659593A1

  公开（公告）日：2020-06-03

  The present invention relates to inhibitors of the enzyme TRMT2A and medical uses thereof. More particularly, the present invention relates to the treatment and the prevention of polyglutamine diseases using TRMT2A inhibitors.

  本发明涉及 TRMT2A 酶的抑制剂及其医疗用途。更具体地说，本发明涉及使用 TRMT2A 抑制剂治疗和预防多聚谷氨酰胺疾病。
• NOVEL COLORED SOLUTIONS OF INJECTABLE DRUGS AND THEIR PHARMACEUTICALLY ACCEPTABLE SALTS
  申请人：Winch Peter D.

  公开号：US20090156562A1

  公开（公告）日：2009-06-18

  The invention is directed to pharmaceutical compositions comprising colored solutions, colored emulsions, or colored powders of injectable pharmaceuticals wherein said pharmaceuticals are selected from the group consisting of muscle relaxants, hypnotics, induction agents, and anticholinergics. The formulations of the present invention may all be colored using fluorescein. Different colors may be achieved by either varying the concentration of fluorescein, or by combining fluorescein with another dye. The invention is also directed to methods involving the use of said pharmaceutical compositions.
• Stabilized Aqueous Compositions of Neuromuscular Blocking Agents
  申请人：B. Braun Melsungen AG

  公开号：US20150216979A1

  公开（公告）日：2015-08-06

  The present invention relates to an aqueous composition comprising: (i) a quaternary ammonium neuromuscular blocking agent; and (ii) an excipient selected from a polyhydroxy acid of the following formula: HO—CH 2 —[CH(OH)] n —COOH, wherein n is an integer from 1 to 8, an intramolecular lactone of said polyhydroxy acid or a mixture thereof. Furthermore the present invention relates to a liquid pharmaceutical composition comprising or consisting of said aqueous composition and a method for producing said aqueous composition comprising the steps of: a) providing a quaternary ammonium neuromuscular blocking agent wherein said quaternary ammonium neuromuscular blocking agent is optionally freeze-dried, b) providing an excipient selected from a polyhydroxy acid of the following formula: HO—CH 2 —[CH(OH)] n —COOH, wherein n is an integer from 1 to 8, an intramolecular lactone of said polyhydroxy acid or a mixture thereof, wherein said excipient is optionally freeze-dried, c) mixing the quaternary ammonium neuromuscular blocking agent of step a) and the excipient of step b) in water to give an aqueous composition. In addition, the present invention relates to the use of a polyhydroxy carboxylic acid of the following formula: HO—CH 2 —[CH(OH)] n —COOH, wherein n is an integer from 1 to 8, an intramolecular lactone of said polyhydroxy acid or a mixture thereof for stabilizing an aqueous composition comprising a quaternary ammonium neuromuscular blocking agent. The present invention also refers to a container containing the aqueous composition or the liquid pharmaceutical composition of the present invention. It furthermore relates to a kit comprising said compositions. Preferred embodiments are apparent from the dependent claims.
• ACYCLIC CUCURBIT[N]URIL TYPE MOLECULAR CONTAINERS TO TREAT INTOXICATION AND DECREASE RELAPSE RATE IN SUBSTANCE ABUSE DISORDERS
  申请人：UNIVERSITY OF MARYLAND, COLLEGE PARK

  公开号：US20170246180A1

  公开（公告）日：2017-08-31

  Provided are methods for reversing the effects of drugs of abuse. The method involves administering acyclic CB[n]-type compounds to a mammal in need of the reversal of the effects from a drug of abuse.
• US9469648B2
  申请人：——

  公开号：US9469648B2

  公开（公告）日：2016-10-18