zofenopril | 81938-43-4

• 物质功能分类: 原料药 - 循环系统用药 - 抗高血压病药
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: zofenopril
• 英文别名: (2S)-1-[(2S)-3-benzoylsulfanyl-2-methylpropanoyl]-4-phenylsulfanylpyrrolidine-2-carboxylic acid
• CAS: 81938-43-4
• 化学式: C₂₂H₂₃NO₄S₂
• 分子量: 429.561
• InChiKey: IAIDUHCBNLFXEF-JNBCYNBSSA-N

物化性质

• 熔点：
  >250°C
• 比旋光度：
  D23 -67.6° (c = 1 in methanol/HCl)
• 溶解度：
  二甲基亚砜：>5mg/mL

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  125
• 氢给体数：
  1
• 氢受体数：
  6

安全信息

• 危险品标志：
  N
• 安全说明：
  S60,S61
• 危险类别码：
  R50/53
• WGK Germany：
  3
• 包装等级：
  III
• 危险类别：
  9
• 危险性防范说明：
  P201,P264,P280,P301+P330+P331,P312
• 危险品运输编号：
  3077
• 危险性描述：
  H302,H361,H372,H410
• 储存条件：
  | 冰箱 |

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : Zofenopril Calcium
CAS-No. : 81938-43-4
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Acute aquatic toxicity (Category 1)
Chronic aquatic toxicity (Category 1)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Warning
Hazard statement(s)
H410 Very toxic to aquatic life with long lasting effects.
Precautionary statement(s)
P273 Avoid release to the environment.
P501 Dispose of contents/ container to an approved waste disposal plant.
Supplemental Hazard none
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R50/53 Very toxic to aquatic organisms, may cause long-term adverse effects in
the aquatic environment.
S-phrase(s)
S60 This material and its container must be disposed of as hazardous waste.
S61 Avoid release to the environment. Refer to special instructions/ Safety
data sheets.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Synonyms : (4S)-1-[(2S)-3-(benzoylthio)-2-methyl-1-oxopropyl]-4-(phenylthio)-L-
proline calcium salt (2:1)
Formula : C22H22NO4S2 · 0.5Ca
Molecular Weight : 448,58 g/mol
Component Concentration
ZOFENOPRIL CALCIUM
CAS-No. 81938-43-4 -

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Section 4. 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. 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
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

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Section 5. FIRE-FIGHTING 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), Sulphur oxides, Calcium oxide
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate ventilation.
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.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
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

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Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at
the end of workday.
Personal protective equipment
Eye/face protection
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
Choose body protection in relation to its type, to the concentration and amount of dangerous
substances, and to the specific work-place., The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US) or CEN (EU).

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: solid
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing no data available
point
f) Initial boiling point and no data available
boiling range
g) Flash point not applicable
h) Evaporation rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
o) Partition coefficient: n- log Pow: 4,505
octanol/water
p) Autoignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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Section 10. 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 acids and oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

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Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
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
Inhalation May be harmful if inhaled. May cause respiratory tract irritation.
Ingestion May be harmful if swallowed.
Skin May be harmful if absorbed through skin. May cause skin irritation.
Eyes May cause eye irritation.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly
investigated.
Additional Information
RTECS: Not available

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Section 12. 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 with long lasting effects.
no data available

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Section 13. 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.

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Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: 3077 IMDG: 3077 IATA: 3077
UN proper shipping name
ADR/RID: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (ZOFENOPRIL
CALCIUM)
IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (ZOFENOPRIL
CALCIUM)
IATA: Environmentally hazardous substance, solid, n.o.s. (ZOFENOPRIL CALCIUM)
Transport hazard class(es)
ADR/RID: 9 IMDG: 9 IATA: 9
Packaging group
ADR/RID: III IMDG: III IATA: III
Environmental hazards
ADR/RID: yes IMDG Marine pollutant: yes IATA: yes
Special precautions for user
Further information
EHS-Mark required (ADR 2.2.9.1.10, IMDG code 2.10.3) for single packagings and combination packagings
containing inner packagings with Dangerous Goods > 5L for liquids or > 5kg for solids.

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SECTION 15 - REGULATORY INFORMATION
N/A

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

抗高血压药物：佐芬普利钙

佐芬普利钙是一种血管紧张素转换酶抑制剂（ACEI）类抗高血压药物。该药物最初由美国百时美施贵宝公司研发，并由意大利Menarini制药推向市场，于2001年1月8日在多个欧洲国家上市。其商品名称为Bifril、Zofenil和Zopranol。佐芬普利钙适用于治疗轻至中度原发性高血压，以及用于急性心肌梗死24小时内有或无症状、血流动力学稳定且未接受溶栓治疗的患者。

研究显示，佐芬普利钙能显著降低心血管病高危患者的死亡率和威胁生命的心血管意外发生率。它对心血管疾病的预防与治疗奠定了坚实的基础，并展现出光明的前景。尤其对于那些冠心病发病率风险较高的高血压患者而言，该药物具有更强吸引力。

血管紧张素转换酶抑制剂(ACEI)的作用

**血管紧张素转化酶抑制剂（ACEI）**作为一类抗高血压药物，自1981年首个口服有效的ACEI卡托普利上市以来，已经有很多品种的ACEI投放市场。尽管近年来钙通道阻滞剂(CCB)和非肽类血管紧张素Ⅱ(AngⅡ)受体抑制剂占据主导地位，ACEI仍独树一帜，占据了全球心血管药物市场份额的五分之一。

多项大型临床研究表明，ACEI对心脏、血管和肾脏具有保护作用。特别是对于心脏的保护表现为：

1. 增加冠脉血流量
2. 减轻左心室肥大
3. 降低心肌梗塞的复发率及死亡率
4. 减缓心室病理性重构和功能障碍
5. 降低充血性心力衰竭的发生及死亡率

此外，ACEI在治疗糖尿病性肾病方面也取得了一定成效。

药理作用

佐芬普利钙是一种含有巯基的长效ACE抑制剂，作为前体药物，在体内经酯酶水解成游离巯基后发挥作用。由于其独特的巯基结构，佐芬普利钙具有更强的抗氧化特性，并且除了具有一般ACEI的治疗高血压和充血性心力衰竭的效果外，还兼有对心肌梗塞的独特疗效。

与其它ACE抑制剂相比，佐芬普利钙表现出以下优点：

1. 保护心肌、抗心肌缺血：高浓度的依那普利、雷米普利拉和福辛普利拉没有此作用。
2. 亲脂性强，在心脏中的浓度较高：在心脏中，佐芬普利钙比依那普利高200倍，比雷米普利高1500倍。
3. 显著且长效对心脏ACE有抑制作用：相较于卡托普利和福辛普利，作用时间更长。
4. 改善缺血后的左心室功能，增加冠脉血流量，并减少肌酸激酶(CK)的释放；而福辛普利没有该效果。
5. 抵抗自由基对心脏等靶器官损伤的作用强度优于其他药物。

佐芬普利钙有望成为治疗和预防伴有心肌梗死的高血压病的首选药物，因为它不仅能有效控制血压，还能提供心肌保护作用，并在一定程度上预防或缓解心肌梗塞的影响。

生物活性

**Zofenopril Calcium (SQ26991)**是一种抗氧化剂和血管紧张素转换酶（ACE）抑制剂。

靶点

Target	Value
ACE

用途
ACEI类降压药