quinidine hydrochloride monohydrate | 6151-40-2

• 物质功能分类: 医药中间体 - 杂环化合物 - 喹啉类化合物
• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 金鸡纳生物碱
• 英文名称: quinidine hydrochloride monohydrate
• 英文别名: quinidine; hydrochloride；Chinidin; Hydrochlorid；Chinidin; Hydrochlorid-Hydrat；(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;hydrate;hydrochloride
• CAS: 6151-40-2
• 化学式: C₂₀H₂₄N₂O₂*ClH*H₂O
• 分子量: 378.899
• InChiKey: SGVZDMWHXVXUBY-KAIFKDDSSA-N

物化性质

• 熔点：
  258-259 C
• 溶解度：
  DMSO：100mg/mL（263.93mM）；水：2.5 mg/mL（6.60 mM）

计算性质

• 辛醇/水分配系数(LogP)：
  2.77
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  46.6
• 氢给体数：
  3
• 氢受体数：
  5

安全信息

• 危险品标志：
  Xn,Xi
• 安全说明：
  S26,S36
• 危险类别码：
  R20/21/22,R36/37/38
• WGK Germany：
  3
• 危险品运输编号：
  UN 2811 6.1/PG 3

SDS

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Section 1. Chemical Product and Company Identification
Quinidine HCl monohydrate Catalog
QU104
Common Name/
Number(s).
Trade Name
CAS# 6151-40-2
Manufacturer
RTECS VA5750000
SPECTRUM CHEMICAL MFG. CORP.
TSCA TSCA 8(b) inventory:
Quinidine HCl monohydrate
Commercial Name(s) Not available.
CI# Not available.
Synonym 6'-Methoxycinchonan-9-ol hydrochloride
IN CASE OF EMERGENCY
Not available.
Chemical Name
Chemical Family Not available. CALL [phone]
C20H24N2O2.HCl.H2O
Chemical Formula
SPECTRUM CHEMICAL MFG. CORP.

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Section 2.Composition and Information on Ingredients
Exposure Limits
TWA (mg/m3) STEL (mg/m3) CEIL (mg/m3)
Name CAS # % by Weight
1) Quinidine HCl monohydrate 6151-40-2 100
Toxicological Data Quinidine HCl monohydrate
on Ingredients LD50: Not available.
LC50: Not available.

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Section 3. Hazards Identification
Potential Acute Health Effects Very hazardous in case of ingestion. Hazardous in case of eye contact (irritant), of inhalation.
Potential Chronic Health Very hazardous in case of ingestion.
Effects Hazardous in case of skin contact (irritant), of eye contact (irritant), of inhalation.
CARCINOGENIC EFFECTS: Not available.
MUTAGENIC EFFECTS: Not available.
TERATOGENIC EFFECTS: Not available.
DEVELOPMENTAL TOXICITY: Not available.
Quinidine HCl monohydrate

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Section 4. First Aid Measures
Eye Contact Check for and remove any contact lenses. Immediately flush eyes with running water for at least 15 minutes,
keeping eyelids open. Cold water may be used. Do not use an eye ointment. Seek medical attention.
Skin Contact No known effect on skin contact, rinse with water for a few minutes.
Serious Skin Contact Not available.
Inhalation Allow the victim to rest in a well ventilated area. Seek immediate medical attention.
Serious Inhalation Not available.
Ingestion Do not induce vomiting. Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not
breathing, perform mouth-to-mouth resuscitation. Seek immediate medical attention.
Serious Ingestion Not available.

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Section 5. Fire and Explosion Data
Flammability of the Product May be combustible at high temperature.
Auto-Ignition Temperature Not available.
Flash Points Not available.
Flammable Limits Not available.
Products of Combustion These products are carbon oxides (CO, CO2), nitrogen oxides (NO, NO2...), halogenated compounds.
Fire Hazards in Presence of Not available.
Various Substances
Explosion Hazards in Presence Risks of explosion of the product in presence of mechanical impact: Not available.
of Various Substances Risks of explosion of the product in presence of static discharge: Not available.
Fire Fighting Media SMALL FIRE: Use DRY chemical powder.
and Instructions LARGE FIRE: Use water spray, fog or foam. Do not use water jet.
Special Remarks on Not available.
Fire Hazards
Special Remarks on Explosion Not available.
Hazards

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Section 6. Accidental Release Measures
Small Spill Use appropriate tools to put the spilled solid in a convenient waste disposal container. Finish cleaning by
spreading water on the contaminated surface and dispose of according to local and regional authority
requirements.
Large Spill Use a shovel to put the material into a convenient waste disposal container. Finish cleaning by spreading water
on the contaminated surface and allow to evacuate through the sanitary system.
Quinidine HCl monohydrate

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Section 7. Handling and Storage
Precautions Keep away from heat. Keep away from sources of ignition. Empty containers pose a fire risk, evaporate the
residue under a fume hood. Ground all equipment containing material. Do not breathe dust. Avoid contact with
eyes Wear suitable protective clothing In case of insufficient ventilation, wear suitable respiratory equipment If
you feel unwell, seek medical attention and show the label when possible.
Storage Keep container dry. Keep in a cool place. Ground all equipment containing material. Keep container tightly
closed. Keep in a cool, well-ventilated place. Combustible materials should be stored away from extreme heat
and away from strong oxidizing agents.

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Section 8. Exposure Controls/Personal Protection
Engineering Controls Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below
recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
airborne contaminants below the exposure limit.
Personal Protection Splash goggles. Lab coat.
Personal Protection in Case of Splash goggles. Full suit. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a
a Large Spill specialist BEFORE handling this product.
Exposure Limits Not available.

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Section 9. Physical and Chemical Properties
Physical state and appearance Solid. (Crystals solid.) Odor Odorless.
Taste Bitter.
Molecular Weight 378.9 g/mole
Color White.
pH (1% soln/water) Not available.
Not available.
Boiling Point
Melting Point Decomposes. (259°C or 498.2°F)
Not available.
Critical Temperature
Specific Gravity Not available.
Vapor Pressure Not applicable.
Vapor Density Not available.
Volatility Not available.
Odor Threshold Not available.
Water/Oil Dist. Coeff. Not available.
Ionicity (in Water) Not available.
Dispersion Properties See solubility in water, methanol.
Solubility Soluble in methanol.
Partially soluble in cold water.

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Section 10. Stability and Reactivity Data
Stability The product is stable.
Not available.
Instability Temperature
Conditions of Instability Not available.
Incompatibility with various Not available.
substances
Quinidine HCl monohydrate
Corrosivity Non-corrosive in presence of glass.
Special Remarks on Not available.
Reactivity
Special Remarks on Not available.
Corrosivity
Polymerization No.

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Section 11. Toxicological Information
Routes of Entry Eye contact. Inhalation. Ingestion.
Toxicity to Animals LD50: Not available.
LC50: Not available.
Chronic Effects on Humans Not available.
Other Toxic Effects on Very hazardous in case of ingestion.
Humans Hazardous in case of inhalation.
Special Remarks on Not available.
Toxicity to Animals
Special Remarks on Human: passes through the placenta, excreted in maternal milk.
Chronic Effects on Humans
Special Remarks on other Not available.
Toxic Effects on Humans

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Section 12. Ecological Information
Ecotoxicity Not available.
BOD5 and COD Not available.
Products of Biodegradation Possibly hazardous short term degradation products are not likely. However, long term degradation products may
arise.
Toxicity of the Products The products of degradation are more toxic.
of Biodegradation
Special Remarks on the Not available.
Products of Biodegradation

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Section 13. Disposal Considerations
Waste Disposal

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Section 14. Transport Information
DOT Classification Not a DOT controlled material (United States).
Identification Not applicable.
Special Provisions for Not applicable.
Transport
Quinidine HCl monohydrate
DOT (Pictograms)

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Section 15. Other Regulatory Information and Pictograms
TSCA 8(b) inventory: Quinidine HCl monohydrate
Federal and State
Regulations
California
Proposition 65
Warnings
Other Regulations Not available..
WHMIS (Canada) Not controlled under WHMIS (Canada).
Other Classifications
DSCL (EEC) R36- Irritating to eyes.
Health Hazard
HMIS (U.S.A.) 2 National Fire Protection
1 Flammability
1 Association (U.S.A.)
Fire Hazard
2 0 Reactivity
Health
Reactivity
0
Specific hazard
Personal Protection
j
WHMIS (Canada)
(Pictograms)
DSCL (Europe)
(Pictograms)
TDG (Canada)
(Pictograms)
ADR (Europe)
(Pictograms)
Protective Equipment
Not applicable.
Lab coat.
Not applicable.
Splash goggles.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

生物活性

奎尼丁盐酸单水合物是一种抗心律失常剂，也是钾离子通道的有效阻断剂，其 IC50 值为 19.9 μM。此外，它还是一种有效且选择性的细胞色素 P450db 抑制剂，并可作为疟疾研究的工具。

靶点

• IC50 (K+ channel): 19.9 μM

体外研究

奎尼丁盐酸单水合物能阻断野生型 mSlo3（KCa5.1）通道，其 IC50 值为 19.9±1.41 μM，Hill 斜率为 1.15±0.15 (n=7)。值得注意的是，F304Y mSlo3 通道对该化合物的阻断作用更强（IC50 值为 2.42±0.60 μM, n=9, P<0.005；Hill 斜率为 0.98±0.12），但 R196Q mSlo3 通道的阻断作用较弱（IC50 值为 38.4±6.77 μM, n=5, P<0.001；Hill 斜率为 1.05±0.16）。F304Y mSlo3 通道的阻断作用还显示出一定的时间依赖性。

体内研究

直接将奎尼丁盐酸单水合物应用于坐骨神经，会观察到在基线与不同时间点对比或与右对侧葡萄糖处理肢体对比时，升支体感觉诱发电位 (SSEP) 幅度和降支复合肌肉动作电位 (CMAP) 幅度出现剂量依赖性的下降。此外，施用奎尼丁盐酸单水合物后 SSEP 和 CMAP 电位的潜伏期均比基线及对侧肢体延长。

文献信息

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  本发明提供了一种用于治疗或预防角膜内皮症状、失调或疾病的组合物，这些症状、失调或疾病归因于角膜内皮细胞中的TGF-β信号传导。本发明提供了一种包含化合物的组合物，该组合物用于治疗或预防内皮症状、紊乱或疾病，其中，当该化合物与福氏角膜内皮营养不良症的永生化细胞接触时、(i) 在杜氏改良鹰培养基（DMEM）+2% 胎牛血清（FBS）+1% 青霉素/链霉素（P/S）中培养 24-28 小时后，所述永生化细胞表现出约 90% 或以上的细胞存活率（%），以及 (ii) 在 TGF-β 存在下，caspase 3/7 活性（%）与所述细胞存活率（%）之比至多为 0.在杜氏改良老鹰培养基（DMEM）+2% 胎牛血清（FBS）+1% 青霉素/链霉素（P/S）中培养 24-28 小时后，细胞存活率（%）最多为 0.8。
• Theranostics platform and methods of use
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  公开号：US10161929B2

  公开（公告）日：2018-12-25

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  申请人：REMON Jean Paul

  公开号：US20090239900A1

  公开（公告）日：2009-09-24

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  公开号：US20110224141A1

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