82768-85-2

82768-85-2结构式
82768-85-2结构式
  • 常用中文名:喹普利拉
  • 常用英文名:CI928
  • CAS号:82768-85-2
  • 分子式:C23H26N2O5
  • 分子量:410.46300
  • 相关类别: 信号通路 代谢酶/蛋白酶 血管紧张素转换酶(ACE)
  • 发布时间:2018-04-03 08:00:00
  • 更新时间:2024-01-02 18:15:13
  • 奎那普利是一种口服活性非巯基血管紧张素转换酶(ACE)抑制剂,是奎那普利的活性代谢物。奎那普利特异性阻断血管紧张素I向血管收缩剂血管紧张素II的转化,并抑制缓激肽的降解。奎那普利特作为抗高血压药和血管扩张剂[1][2]。

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中文名 喹普利拉
英文名 quinaprilat hydrate
英文别名 (3S)-2-[(S)-2-[[(S)-1-Carboxy-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
quinapril diacid
ci928
(3s-(2(r*(r*)),3r*))-yl)amino)-1-oxopropyl)
(3S)-2-[(S)-2-[[(S)-1-Carboxy-3-phenylpropyl]amino]propionyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
[3S-[2[R*(R*)],3R*]]-2[2-[[1-(carboxy)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid
CI-92
3-Isoquinolinecarboxylic acid,2-(2S)-2-(1S)-1-carboxy-3-phenylpropylamino-1-oxopropyl-1,2,3,4-tetrahydro-,(3S)
3-isoquinolinecarboxylicacid,1,2,3,4-tetrahydro-2-(2-((1-carboxy-3-phenylprop
quinaprilate
(3S)-2-[(2S)-2-[[(1S)-1-Carboxy-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic Acid
描述 奎那普利是一种口服活性非巯基血管紧张素转换酶(ACE)抑制剂,是奎那普利的活性代谢物。奎那普利特异性阻断血管紧张素I向血管收缩剂血管紧张素II的转化,并抑制缓激肽的降解。奎那普利特作为抗高血压药和血管扩张剂[1][2]。
相关类别
体外研究 奎那普利(5μM)介导有机阴离子转运体3(hOAT3)的相互作用,该转运体可促进奎那普利的肾脏活性分泌,使HEK293细胞对奎那普利特的摄取增加到25倍,且hOAT3对奎那普里特的亲和力Km为13.4μM[1]。奎那普利(100nM,20min)可通过激活B1受体抑制蛋白激酶C(PKC)的活性,导致人肺微血管内皮(HLMVE)细胞释放NO[2]。
参考文献

[1]. Haodan Yuan, et al. Renal organic anion transporter-mediated drug-drug interaction between gemcabene and quinapril. J Pharmacol Exp Ther. 2009 Jul;330(1):191-7. doi: 10.1124/jpet.108.149476. Epub 2009 Apr 6.

[2]. Sinisa Stanisavljevic, et al. Angiotensin I-converting enzyme inhibitors block protein kinase C epsilon by activating bradykinin B1 receptors in human endothelial cells. J Pharmacol Exp Ther. 2006 Mar;316(3):1153-8.

密度 1.289 g/cm3
沸点 674.5ºC at 760 mmHg
熔点 166-168ºC
分子式 C23H26N2O5
分子量 410.46300
闪点 361.7ºC
精确质量 410.18400
PSA 106.94000
LogP 2.41740
外观性状 结晶固体

Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name: Quinaprilat hydrate
Relevant identified uses of the substance or mixture and uses advised against
Identified uses: Laboratory chemicals, Manufacture of substances



Section2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Acute toxicity, Oral (Category 3)
Acute aquatic toxicity (Category 1)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Toxic if swallowed. Very toxic to aquatic organisms.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal wordDanger
Hazard statement(s)
H301Toxic if swallowed.
H400Very toxic to aquatic life.
Precautionary statement(s)
P273Avoid release to the environment.
P301 + P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/
physician.
Supplemental Hazardnone
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R25Toxic if swallowed.
R50Very toxic to aquatic organisms.
S-phrase(s)
S45In case of accident or if you feel unwell, seek medical advice immediately
(show the label where possible).
S61Avoid release to the environment. Refer to special instructions/ Safety
data sheets.
Other hazards - none

Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Synonyms: (3S)-2-[(2S)-2-[[(1S)-1-Carboxy-3-phenylpropyl]amino]-1-oxopropyl]-
1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid hydrate
Formula: C23H26N2O5 · xH2O
Molecular Weight: 410,46 g/mol
ComponentConcentration
(3S)-2-[(2S)-2-[[(1S)-1-Carboxy-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-3-
isoquinolinecarboxylic acid hydrate
-

Section4. FIRST AID MEASURES
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Take victim immediately to hospital. Consult a physician.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
Lowered blood pressure, To the best of our knowledge, the chemical, physical, and toxicological properties
have not been thoroughly investigated.
Indication of any immediate medical attention and special treatment needed
no data available

Section5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, nitrogen oxides (NOx)
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

Section6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Wear respiratory protection. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate
ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the
environment must be avoided.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

Section7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Recommended storage temperature: 2 - 8 °C
Specific end uses
no data available

Section8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling
the product.
Personal protective equipment
Eye/face protection
Face shield and safety glasses Use equipment for eye protection tested and approved under
appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face particle
respirator type N99 (US) or type P2 (EN 143) respirator cartridges as a backup to engineering
controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use
respirators and components tested and approved under appropriate government standards such
as NIOSH (US) or CEN (EU).

Section9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) AppearanceForm: solid
b) Odourno data available
c) Odour Thresholdno data available
d) pHno data available
e) Melting point/freezingno data available
point
f) Initial boiling point and no data available
boiling range
g) Flash pointno data available
h) Evaporation rateno data available
i) Flammability (solid, gas) no data available
j) Upper/lowerno data available
flammability or
explosive limits
k) Vapour pressureno data available
l) Vapour densityno data available
m) Relative densityno data available
n) Water solubilityno data available
o) Partition coefficient: n- log Pow: 2,152
octanol/water
p) Autoignitionno data available
temperature
q) Decompositionno data available
temperature
r) Viscosityno data available
s) Explosive propertiesno data available
t) Oxidizing propertiesno data available
Other safety information
no data available

Section10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products

Section11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
LD50 Intravenous - rat - > 400 mg/kg
LD50 Intravenous - mouse - > 1.000 mg/kg
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC:No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
InhalationMay be harmful if inhaled. May cause respiratory tract irritation.
IngestionToxic if swallowed.
SkinMay be harmful if absorbed through skin. May cause skin irritation.
EyesMay cause eye irritation.
Signs and Symptoms of Exposure
Lowered blood pressure, To the best of our knowledge, the chemical, physical, and toxicological properties
have not been thoroughly investigated.
Additional Information
RTECS: Not available

Section12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
Very toxic to aquatic life.

Section13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Dissolve or mix the material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

Section14. TRANSPORT INFORMATION
UN number
ADR/RID: 2811IMDG: 2811IATA: 2811
UN proper shipping name
ADR/RID: TOXIC SOLID, ORGANIC, N.O.S. ((3S)-2-[(2S)-2-[[(1S)-1-Carboxy-3-phenylpropyl]amino]-1-
oxopropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid hydrate)
IMDG: TOXIC SOLID, ORGANIC, N.O.S. ((3S)-2-[(2S)-2-[[(1S)-1-Carboxy-3-phenylpropyl]amino]-1-
oxopropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid hydrate)
IATA:Toxic solid, organic, n.o.s. ((3S)-2-[(2S)-2-[[(1S)-1-Carboxy-3-phenylpropyl]amino]-1-
oxopropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid hydrate)
Transport hazard class(es)
ADR/RID: 6.1IMDG: 6.1IATA: 6.1
Packaging group
ADR/RID: IIIIMDG: IIIIATA: III
Environmental hazards
ADR/RID: noIMDG Marine pollutant: noIATA: no
Special precautions for user
no data available

Section15. REGULATORY INFORMATION
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
no data available

Section16. OTHER INFORMATION
Further information
Copyright 2011 Co. License granted to make unlimited paper copies for internal use only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Co., shall not be held liable for any damage
resulting from handling or from contact with the above product. See reverse side of invoice or packing
slip for additional terms and conditions of sale.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NW7160900
CHEMICAL NAME :
3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-(2-((1-carboxy-3-phenylpropyl)am ino)-1- oxopropyl)-, (3S-(2(R*(R*)),3R*))-
CAS REGISTRY NUMBER :
82768-85-2
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C23-H26-N2-O5
MOLECULAR WEIGHT :
410.51

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ANGIAB Angiology. (Angiology Research Found., Inc., 320 Northern Blvd., Great Neck, NY 11021) V.1- 1950- Volume(issue)/page/year: 40,335,1989
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ANGIAB Angiology. (Angiology Research Found., Inc., 320 Northern Blvd., Great Neck, NY 11021) V.1- 1950- Volume(issue)/page/year: 40,335,1989

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