2-氯-6-羟基喹啉 | 577967-89-6

• 物质功能分类: 医药中间体 - 喹啉类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 中文名称: 2-氯-6-羟基喹啉
• 中文别名: 2-氯-6-羟基-喹啉
• 英文名称: 2-chloroquinolin-6-ol
• 英文别名: 6-hydroxy-2-chloroquinoline
• CAS: 577967-89-6
• 化学式: C₉H₆ClNO
• 分子量: 179.606
• InChiKey: XANCOYIVTNZKOE-UHFFFAOYSA-N

物化性质

• 熔点：
  192℃
• 沸点：
  342.1±22.0 °C(Predicted)
• 密度：
  1.412
• 溶解度：
  可溶于乙腈（少许）、DMSO（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  33.1
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933499090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  存储条件为2-8°C，并需保存在惰性气体中。

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 2-Chloroquinolin-6-ol
Synonyms:

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

---

Section 3. Composition/information on ingredients.
Ingredient name: 2-Chloroquinolin-6-ol
CAS number: 577967-89-6

---

Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

---

Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

---

Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

---

Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

---

Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

---

Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C9H6ClNO
Molecular weight: 179.6

---

Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

---

Section 14. Transportation information
Non-harzardous for air and ground transportation.

---

Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-氯-6-羟基喹啉 在 四(三苯基膦)钯 、 偶氮二甲酸二异丙酯 、 4-甲基苯磺酸吡啶 、 potassium carbonate 、 对甲苯磺酸 、 三苯基膦 、 三氟乙酸 作用下， 以 四氢呋喃 、 乙二醇二甲醚 、 氯仿 、 水 、 1,2-二氯乙烷 为溶剂， 反应 35.66h， 生成 2-(2-aminopyrid-5-yl)-6-[[2-(tetrahydro-2H-pyran-2-yloxy)-3-tosyloxy]propoxy]quinoline
  参考文献：
  名称：

  TAU IMAGING PROBE

  摘要：

  公开号：

  EP2634177B8
• 作为产物：
  描述：

  6-甲氧基喹啉 在 双氧水 、 乙酸酐 、 三溴化硼 、 三氯氧磷 作用下， 以 二氯甲烷 、 水 、 溶剂黄146 为溶剂， 反应 27.0h， 生成 2-氯-6-羟基喹啉
  参考文献：
  名称：

  [EN] NOVEL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS
  [FR] NOUVEAUX COMPOSÉS AROMATIQUES BICYCLIQUES SUBSTITUÉS EN TANT QU'INHIBITEURS DE LA S-NITROSOGLUTATHION RÉDUCTASE

  摘要：

  本发明涉及一类新颖的取代双环芳族化合物，该化合物可用作S-硝基谷胱甘肽还原酶（GSNOR）的抑制剂，包括含有此类化合物的药物组合物，以及制造和使用这些化合物的方法。

  公开号：

  WO2012083165A1

文献信息

• TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE
  申请人：Arvinas, Inc.

  公开号：US20180125821A1

  公开（公告）日：2018-05-10

  The present disclosure relates to bifunctional compounds, which find utility as modulators of tau protein. In particular, the present disclosure is directed to bifunctional compounds, which contain on one end a VHL or cereblon ligand which binds to the E3 ubiquitin ligase and on the other end a moiety which binds tau protein, such that tau protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of tau. The present disclosure exhibits a broad range of pharmacological activities associated with degradation/inhibition of tau protein. Diseases or disorders that result from aggregation or accumulation of tau protein are treated or prevented with compounds and compositions of the present disclosure.

  本公开涉及双功能化合物，其作为tau蛋白的调节剂具有实用性。具体而言，本公开涉及含有一端结合到E3泛素连接酶的VHL或cereblon配体，另一端结合到tau蛋白的双功能化合物，使得tau蛋白与泛素连接酶靠近，以实现tau蛋白的降解（和抑制）。本公开展示了与tau蛋白降解/抑制相关的广泛药理活性。本公开的化合物和组合物用于治疗或预防由tau蛋白聚集或积累导致的疾病或紊乱。
• 一种可以特异性结合并能抑制Tau蛋白聚集 的分子及其制备方法和应用
  申请人：复旦大学

  公开号：CN107488144B

  公开（公告）日：2021-06-04

  本发明属于抑制蛋白聚集技术领域，具体涉及一种可以特异性结合阿尔茨海默病中的病理性标志物Tau蛋白并能抑制其聚集的探针分子。该类探针分子可以特异性的结合Tau蛋白并能抑制Tau蛋白的聚集，其抑制作用呈现出浓度依赖。本发明的优点在于可以通过调整中间醚链的长度来实现对Tau蛋白单体和聚集体的亲和力，同时醚链的长度对Tau蛋白聚集的抑制能力也有很大影响。
• 2-AMINOQUINOLINES
  申请人：Kolczewski Sabine

  公开号：US20090227583A1

  公开（公告）日：2009-09-10

  The present invention relates to compounds of formula (I) wherein A, R 1 , R 2 , R 3 , R 4 , and R 5 are as described herein, pharmaceutical compositions containing them, and methods for their manufacture. These compounds are 5-HT 5A receptor antagonistsand are useful in the prevention and/or treatment of depression, anxiety disorders, schizophrenia, panic disorders, agoraphobia, social phobia, obsessive compulsive disorders, post-traumatic stress disorders, pain, memory disorders, dementia, disorders of eating behaviors, sexual dysfunction, sleep disorders, abuse of drugs, motor disorders such as Parkinson's disease, psychiatric disorders or gastrointestinal disorders.

  本发明涉及式(I)的化合物， 其中A，R1，R2，R3，R4和R5如本文所述，含有它们的药物组合物，以及其制备方法。这些化合物是5-HT5A受体拮抗剂，可用于预防和/或治疗抑郁症、焦虑障碍、精神分裂症、恐慌障碍、广场恐惧症、社交恐惧症、强迫症、创伤后应激障碍、疼痛、记忆障碍、痴呆症、进食行为障碍、性功能障碍、睡眠障碍、药物滥用、帕金森病等运动障碍、精神障碍或胃肠道障碍的治疗。
• [EN] BICYCLIC ARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS<br/>[FR] COMPOSÉS D'ARYLMONOBACTAME BICYCLIQUES ET LEURS MÉTHODES D'UTILISATION POUR LE TRAITEMENT DES INFECTIONS BACTÉRIENNES
  申请人：MERCK SHARP & DOHME

  公开号：WO2017155765A1

  公开（公告）日：2017-09-14

  The present invention relates to bicyclic aryl monobactam compounds of Formula (I), and pharmaceutically acceptable salts thereof, wherein A1, L, M, W, X, Y, Z, RX and Rz are as defined herein. The present invention also relates to compositions which comprise a bicyclic aryl monobactam compound of the invention or a pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable carrier. The invention further relates to methods for treating a bacterial infection comprising administering to the patient a therapeutically effective amount of a compound of the invention, either alone or in combination with a therapeutically effective amount of one or more beta-lactamase inhibitor compounds.

  本发明涉及公式（I）的双环芳基单β内酰胺化合物及其药学上可接受的盐，其中A1、L、M、W、X、Y、Z、RX和Rz如本文所定义。本发明还涉及包含本发明的双环芳基单β内酰胺化合物或其药学上可接受的盐以及药学上可接受的载体的组合物。该发明还涉及治疗细菌感染的方法，包括向患者施用本发明化合物的治疗有效量，单独或与一种或多种β-内酰胺酶抑制剂化合物的治疗有效量结合使用。
• Candidate PET Radioligand Development for Neurofibrillary Tangles: Two Distinct Radioligand Binding Sites Identified in Postmortem Alzheimer’s Disease Brain
  作者：Lisheng Cai、Baoxi Qu、Bryan T. Hurtle、Sureshbabu Dadiboyena、Ramon Diaz-Arrastia、Victor W. Pike

  DOI：10.1021/acschemneuro.6b00051

  日期：2016.7.20

  [(18)F]THK-523 and [(18)F]807 are promising radioligands for imaging neurofibrillary tangles (NFTs) with positron emission tomography (PET) in neurodegenerative diseases, such as Alzheimer's disease (AD) and traumatic brain injury. Although [(18)F]THK-523 and [(18)F]T807 are considered high-affinity selective radioligands for NFTs, uncertainty has existed as to whether PET radioligands for imaging

  [（18）F] THK-523和[（18F）] 807是有前途的放射性配体，可用于在神经退行性疾病（例如阿尔茨海默氏病（AD）和颅脑损伤）中用正电子发射断层扫描（PET）成像神经原纤维缠结（NFT）。尽管[（18）F] THK-523和[（18）F] T807被认为是NFT的高亲和选择性放射性配体，但用于成像NFT的PET放射性配体是否结合同一分子位点仍存在不确定性，因为体外检测缺乏与NFT结合的配体。我们用tri标记了THK-523和T807，以作为参考放射性配体用于体外结合试验，其中AD脑匀浆用于新合成的配体。使用这些放射性配体，我们确定了两个不同的小分子结合位点，一个位点对THK-523具有高亲和力，另一个位点对T807具有高亲和力。此外，[（3）H] PIB的结合测定证实，这两个新发现的结合位点也不同于硫黄素-T结合位点，在该位点上，用于成像β-淀粉样蛋白斑的所有当前临床上有用的P