奎宁环-3-醇 | 1619-34-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 奎宁环
• 中文名称: 奎宁环-3-醇
• 中文别名: 1-氮杂双环[2.2.2]辛烷-3-醇；3-喹宁醇；3-羟基奎宁环；3-喹核醇；喹宁环-3-醇；奎宁醇；3-羟基奎宁；1-氮杂二环[2.2.2]辛-3-醇；3-奎宁环醇
• 英文名称: 3-quinuclidinol
• 英文别名: Quinuclidin-3-ol；3-hydroxyquinuclidine；quinuclidinol；1-azabicyclo[2.2.2]octan-3-ol
• CAS: 1619-34-7
• 化学式: C₇H₁₃NO
• 分子量: 127.186
• InChiKey: IVLICPVPXWEGCA-UHFFFAOYSA-N

物化性质

• 稳定性/保质期：

  常温常压下稳定，避免与氧化物、空气、二氧化碳和酸接触。

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  23.5
• 氢给体数：
  1
• 氢受体数：
  2

ADMET

代谢

3-奎宁醇（Q）和苯甲醇酸（BA）是3-奎宁基苄醇酸盐的两种主要代谢物。

3-Quinuclidinol (Q) and benzilic acid (BA) /are the 2 major metabolites of 3-quinuclidinyl benzilate/.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

/SRP:/ 立即急救：确保已经进行了充分的中毒物清除。如果患者停止呼吸，开始人工呼吸，最好使用需求阀复苏器、袋阀面罩装置或口袋面罩，按训练操作。根据需要执行心肺复苏。立即用缓慢流动的水冲洗受污染的眼睛。不要催吐。如果发生呕吐，让患者前倾或将其置于左侧卧位（如果可能的话，头部向下）以保持呼吸道畅通，防止窒息。保持患者安静，维持正常体温。寻求医疗救助。 /失能剂/

/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Incapacitating Agents/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

/SRP:/ 基本治疗：建立专利气道（如有必要，使用口咽或鼻咽气道）。如有必要，进行吸痰。密切观察呼吸不足的迹象，如有必要，进行辅助通气。通过非重复呼吸面罩以10至15升/分钟的速度给予氧气。监测休克并视必要进行治疗……。预见并治疗癫痫发作……。在必要时展示友好的态度，并使用坚定的约束措施。必须将所有危险物品从现场移除，并且任何可能被吞咽的物品都应远离患者，因为可能会出现奇异的幻觉。对于眼睛污染，立即用水冲洗眼睛。在运输过程中，用0.9%的生理盐水（NS）持续冲洗每只眼睛……。使用快速降温技术来管理高热……。不要使用催吐剂。对于摄入，如果患者能够吞咽、有强烈的干呕反射并且不流口水，则用温水冲洗口腔，并给予5毫升/千克，最多200毫升的水进行稀释。给予活性炭……。/失能剂/

/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations it necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . Demonstrate a friendly attitude and use firm restraint when necessary. All dangerous objects must be removed from the area and anything likely to be swallowed should be kept away from patients, because bizarre delusions may occur. For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Use rapid cooling techniques to manage hyperthermia ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . /Incapacitating Agents/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

/SRP:/ 高级治疗：对于无意识、严重肺水肿或严重呼吸困难的病人，考虑进行口咽或鼻咽气管插管以控制气道。使用气囊阀面罩装置的正压通气技术可能有益。考虑对肺水肿进行药物治疗...。监测心率和必要时治疗心律失常...。开始静脉输注D5W /SRP: "保持开放"，最小流量/。如果出现低血容量的迹象，使用0.9%生理盐水（NS）或乳酸林格氏液（LR）。对于伴有低血容量迹象的低血压，谨慎给予液体。如果病人在正常液体量时出现低血压，考虑使用血管加压药。注意液体过载的迹象...。用安定（Valium）或劳拉西泮（Ativan）治疗癫痫或镇静LSD患者...。仅对有症状的BZ或试剂15暴露使用毒扁豆碱...。使用丙美卡因氢氯化物协助眼部冲洗...。/失能剂/

/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Positive-pressure ventilation techniques with a bag-valve-mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's (LR) if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Consider vasopressors if patient is hypotensive with a normal fluid volume. Watch for signs of fluid overload ... . Treat seizures or sedate LSD patients with diazepam (Valium) or lorazepam (Ativan) ... . Administer physostigmine for symptomatic BZ or Agent 15 exposure only .... . Use proparacaine hydrochloride to assist eye irrigation ... . /Incapacitating Agents/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 人类毒性摘录

体征和症状：皮肤接触：可引起烧伤。皮肤吸收：如果通过皮肤吸收可能有害。眼睛接触：可引起烧伤。吸入：如果吸入可能有害。该物质对粘膜和上呼吸道组织的破坏性极强。摄入：如果吞咽可能有害。

/SIGNS AND SYMPTOMS/ Skin Contact: Causes burns. Skin Absorption: May be harmful if absorbed through the skin. Eye Contact: Causes burns. Inhalation: May be harmful if inhaled. Material is extremely destructive to the tissue of the mucous membranes and upper respiratory tract. Ingestion: May be harmful if swallowed.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 人类毒性摘录

吸入可能导致喉头和支气管痉挛、炎症和水肿，化学性肺炎和肺水肿。接触症状可能包括灼热感、咳嗽、喘息、喉炎、呼吸急促、头痛、恶心和呕吐。该物质对粘膜和上呼吸道组织、眼睛和皮肤具有极强的破坏性。

/SIGNS AND SYMPTOMS/ Inhalation may result in spasm, inflammation and edema of the larynx and bronchi, chemical pneumonitis, and pulmonary edema. Symptoms of exposure may include burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea, and vomiting. Material is extremely destructive to tissue of the mucous membranes and upper respiratory tract, eyes, and skin.

来源:Hazardous Substances Data Bank (HSDB)

安全信息

• 储存条件：
  储存于干燥的惰性气体中，并确保容器密封良好。存放时请置于阴凉、干燥处。

反应信息

• 作为反应物：
  描述：

  奎宁环-3-醇 在 sodium 、 甲苯 作用下， 生成 二苯乙醇酸-3-奎宁环酯
  参考文献：
  名称：

  Antispasmodics. II. Esters of Basic Bicyclic Alcohols^*

  摘要：

  DOI：

  10.1021/ja01129a020
• 作为产物：
  描述：

  乙基3-氧代奎宁环-2-羧酸酯 在 水 、 sodium hydroxide 作用下， 反应 2.0h， 生成 奎宁环-3-醇
  参考文献：
  名称：

  一种光学活性3-奎宁醇的制备方法

  摘要：

  本发明涉及一种中间体的合成方法，属于有机合成领域。具体说是一种操作简便，成本低廉，适用于工业化生产的光学活性3‑奎宁醇的制备方法。以4‑哌啶甲酸为起始原料，通过酯化，亲核取代，Dieckmann缩合，脱羧，成盐，还原，乙酰化，化学拆分等得到中间体光学活性3‑奎宁醇。上述的反应式如下：

  公开号：

  CN107721999A
• 作为试剂：
  描述：

  2-氯嘧啶 、 potassium cyanide 在 奎宁环-3-醇 作用下， 以 二甲基亚砜 为溶剂， 反应 2.5h， 以71%的产率得到2-氰基嘧啶
  参考文献：
  名称：

  3-Quinuclidinol as a nucleophilic catalyst for the cyanation of 2-chloropyrimidines

  摘要：

  DOI：

  10.1016/j.tetlet.2014.07.033

文献信息

• [EN] A NOVEL 4-METHYLBENZENESULPHONATE SALT AND A PROCESS FOR PREPARING A PHARMACEUTICAL COMPOSITION COMPRISING THE SALT<br/>[FR] NOUVEAU SEL 4-MÉTHYLBENZÈNESULPHONATE ET PROCÉDÉ DE PRÉPARATION D'UNE COMPOSITION PHARMACEUTIQUE COMPRENANT LE SEL
  申请人：ASTRAZENECA AB

  公开号：WO2010144043A1

  公开（公告）日：2010-12-16

  The invention provides a 4-methylbenzenesulphonate salt of the muscarinic antagonist (R)- 1-(4-fluorophenethyl)-3-((S)-2-phenyl-2-(piperidin-1 -yl)propanoyloxy)-1- azoniabicyclo[2.2.2]octane and its use in therapy,as well as a process for preparing a pharmaceutical composition comprising the salt and its use in therapy.

  这项发明提供了马来酸甲基苯磺酸盐（R）-1-（4-氟苯乙基）-3-（（S）-2-苯基-2-（哌啶-1-基）丙酰氧基）-1-氮杂双环[2.2.2]辛烷的肌肉收缩素拮抗剂，以及用于治疗的方法，以及制备包含该盐的药物组合物的方法和用途。
• [EN] METHODS FOR TREATING NEUROLOGICAL SYMPTOMS ASSOCIATED WITH LYSOSOMAL STORAGE DISEASES<br/>[FR] MÉTHODES DE TRAITEMENT DE SYMPTÔMES NEUROLOGIQUES ASSOCIÉS À DES MALADIES LYSOSOMALES
  申请人：GENZYME CORP

  公开号：WO2021156769A1

  公开（公告）日：2021-08-12

  Methods are provided for treating or preventing neurological symptoms and disorders which are associated with, e.g., lysosomal storage diseases. The methods include enhancing neuronal connectivity within the brain of a subject, increasing brain tissue volume, or preventing or delaying loss of brain tissue volume in a subject. Also provided are methods for monitoring the progression or regression of a neurological disorder, or assessing the onset of a neurological disorder, associated with a lysosomal storage disease, in which brain tissue volume of the subject is measured.

  提供了用于治疗或预防与溶酶体贮积病等相关的神经症状和疾病的方法。这些方法包括增强受试者大脑内的神经连接、增加大脑组织体积，或者预防或延迟受试者大脑组织体积的丧失。还提供了用于监测神经疾病的进展或退化，或评估与溶酶体贮积病相关的神经疾病的发作的方法，其中测量了受试者的大脑组织体积。
• [EN] NEW THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM<br/>[FR] NOUVEAUX DÉRIVÉS DE THIÉNOPYRIMIDINE, PROCÉDÉ POUR LEUR PRÉPARATION ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT
  申请人：SERVIER LAB

  公开号：WO2015097123A1

  公开（公告）日：2015-07-02

  Compounds of formula (I): wherein R1, R2, R3, R4, R5, R6, R7, R12, X, A and n are as defined in the description.

  式（I）的化合物：其中R1、R2、R3、R4、R5、R6、R7、R12、X、A和n的定义如描述中所述。
• QUINUCLIDINE DERIVATIVE
  申请人：LTT BIO-PHARMA CO., LTD.

  公开号：US20180051018A1

  公开（公告）日：2018-02-22

  Provided is a novel therapeutic agent for chronic obstructive pulmonary disease. Provided are a quinuclidine derivative and a medicament comprising the quinuclidine derivative. wherein R 1 represents a hydrogen atom, a halogen atom, a lower alkyl group, a haloalkyl group, a lower alkoxy group, or a haloalkoxy group; Y represents —C(C═O)—O—, —CH 2 —, or —CH 2 O—; m represents an integer of 1 to 5; Z represents an oxygen atom or a sulfur atom; l represents a number of 0 or 1; n represents an integer of 0 to 4; X − represents an anion; and a substituent of a quinuclidine ring represents a 1,3-bond, or 1,4-bond, provided that when m is 3, l is 1, and n is 0, R 1 represents a halogen atom, a lower alkyl group, a haloalkyl group, a lower alkoxy group, or a haloalkoxy group.

  提供了一种用于慢性阻塞性肺疾病的新型治疗剂。 提供了一种喹诺啉衍生物和包括该喹诺啉衍生物的药物。 其中，R1代表氢原子、卤原子、低碳基团、卤代烷基团、低碳氧基团或卤代氧基团；Y代表—C(C═O)—O—、—CH2—或— O—；m代表1到5的整数；Z代表氧原子或硫原子；l代表0或1的数字；n代表0到4的整数；X−代表阴离子；喹诺啉环的取代基代表1,3-键或1,4-键，但当m为3，l为1，n为0时，R1代表卤原子、低碳基团、卤代烷基团、低碳氧基团或卤代氧基团。
• A simple and efficient one-step protocol for the preparation of alkyl-substituted ammonium tetrafluoroborate and hexafluorophosphate salts
  作者：Shahrokh Saba、Renee Hernandez、Christine Chin Choy、Kristine Carta、Yaasmin Bennett、Steven Bondi、Sebastian Kolaj、Caitlin Bennett

  DOI：10.1016/j.jfluchem.2013.05.007

  日期：2013.9

  A fast and high yielding one-step protocol using commercially available and inexpensive bulk chemicals is described for the preparation of a series of mono-, di-, and trialkyl-substituted ammonium tetrafluoroborate and hexafluorophosphate salts under nonaqueous condition.

  描述了使用可商购的和廉价的散装化学品的快速且高产率的一步方案，该方案用于在非水条件下制备一系列单，二和三烷基取代的四氟硼酸铵和六氟磷酸盐。

表征谱图