52-21-1

• 常用中文名：醋酸泼尼松龙
• 常用英文名：Prednisolone Acetate
• CAS号：52-21-1
• 分子式：C₂₃H₃₀O₆
• 分子量：402.481
• 相关类别： 原料药 激素及调节内分泌功能类药 肾上腺皮质激素类药
• 发布时间：2018-02-07 08:00:00
• 更新时间：2024-01-02 12:43:45
• Prednisolone 21-acetate是肾上腺皮质激素类药物, 具有抗炎、抗过敏和抑制免疫等多种药理作用。

名称

• 中文名: 1,4-孕甾二烯-11β,17α,21-三醇-3,20-二酮 21-醋酸酯
• 英文名: Prednisolone Acetate
• 中文别名: 21-乙酰氧基-1,4-孕甾二烯-11β,17α-二醇-3,20-二酮; 醋酸泼尼松龙
• 英文别名: Pregna-1,4-diene-3,20-dione, 21- (acetyloxy)-11,17-dihydroxy-, (11β)-; (11b)-21-(Acetyloxy)-11,17-dihydroxypregna-1,4-diene-3,20-dione; acétate de 2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-diméthyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodécahydro-3H-cyclopenta[a]phénanthrén-17-yl]-2-oxoéthyle; Scherisolon; EINECS 200-134-1; Prednisolone acetate; 11b,17,21-Trihydroxypregna-1,4-diene-3,20-dione 21-acetate; Ak-Tate; Pregna-1,4-diene-3,20-dione, 11β,17,21-trihydroxy-, 21-acetate (8CI); Prednisolone-21-acetate; MFCD00037710; Deltacortenolo; (11β)-11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate; 2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl acetate; 2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl]-2-oxoethylacetat; Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11,17-dihydroxy-, (11β)-; Hydrocortidelt

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 579.8±50.0 °C at 760 mmHg
• 熔点: 240-244 °C
• 分子式: C₂₃H₃₀O₆
• 分子量: 402.481
• 闪点: 198.4±23.6 °C
• 精确质量: 402.204254
• PSA: 100.90000
• LogP: 2.58
• 外观性状: 白色结晶粉末
• 蒸汽压: 0.0±3.7 mmHg at 25°C
• 折射率: 1.587
• 储存条件:

  本品应密封于阴凉干燥处保存。

• 稳定性: Stable. Incompatible with strong oxidizing agents.
• 分子结构:

  1、 摩尔折射率：105.06

  2、 摩尔体积（cm³/mol）：312.5

  3、 等张比容（90.2K）：855.5

  4、 表面张力（dyne/cm）：56.1

  5、 极化率（10-24cm3）：41.65

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:2

  3.氢键受体数量:6

  4.可旋转化学键数量:4

  5.互变异构体数量:6

  6.拓扑分子极性表面积101

  7.重原子数量:29

  8.表面电荷:0

  9.复杂度:827

  10.同位素原子数量:0

  11.确定原子立构中心数量:7

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

• 更多:

  1. 性状：无色结晶粉末。无臭。味苦。

  2. 密度（g/mL,25/4℃）： 未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：237-239

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（kPa,25ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：不溶于水，溶于乙醇，微溶于氯仿、丙酮。

生物活性

• 描述: Prednisolone 21-acetate是肾上腺皮质激素类药物, 具有抗炎、抗过敏和抑制免疫等多种药理作用。
• 相关类别:
  信号通路 >> 其他 >> 其他
  研究领域 >> 炎症/免疫

MSDS

Section 1. Chemical Product and Company Identification Prednisolone acetateCatalog YY1423, P1219, PR100 Common Name/ Number(s). Trade Name CAS#52-21-1 Manufacturer RTECSTU4152500 SPECTRUM CHEMICAL MFG. CORP. TSCATSCA 8(b) inventory: Prednisolone acetate Commercial Name(s)Prednisolone 21-Acetate; Cormalone; Cortpred; Meticortelone CI#Not available. acetate; Nisolone; Prediacortine; Perdicort (11beta)-11,17,21-Trihydroxypregna-1,4-diene-3,20-dione acetate Synonym IN CASE OF EMERGENCY Chemical Name (11.beta.)- Chemical FamilyNot available.CALL (310) 516-8000 Chemical FormulaC21H26O5 SPECTRUM CHEMICAL MFG. CORP. Section 2.Composition and Information on Ingredients Exposure Limits TWA (mg/m3)STEL (mg/m3) CEIL (mg/m3) NameCAS #% by Weight 1) Prednisolone acetate52-21-1100 Not applicable. Toxicological Data on Ingredients Section 3. Hazards Identification Potential Acute Health Effects Slightly hazardous in case of skin contact (irritant), of eye contact (irritant), of ingestion, of inhalation. CARCINOGENIC EFFECTS: Not available. Potential Chronic Health EffectsMUTAGENIC EFFECTS: Not available. TERATOGENIC EFFECTS: Not available. DEVELOPMENTAL TOXICITY: Classified Reproductive system/toxin/female, Reproductive system/toxin/male [POSSIBLE]. Repeated or prolonged exposure is not known to aggravate medical condition. Prednisolone acetate Section 4. First Aid Measures Eye ContactCheck for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical attention if irritation occurs. Skin ContactWash with soap and water. Cover the irritated skin with an emollient. Get medical attention if irritation develops. Serious Skin ContactNot available. InhalationIf inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical attention. Serious InhalationNot available. IngestionDo NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. If large quantities of this material are swallowed, call a physician immediately. Loosen tight clothing such as a collar, tie, belt or waistband. Serious IngestionNot available. Section 5. Fire and Explosion Data Flammability of the Product May be combustible at high temperature. Auto-Ignition Temperature Not available. Flash PointsNot available. Flammable LimitsNot available. Products of CombustionThese products are carbon oxides (CO, CO2). Fire Hazards in Presence of Slightly flammable to flammable in presence of heat. Various Substances Explosion Hazards in Presence Risks of explosion of the product in presence of mechanical impact: Not available. Risks of explosion of the product in presence of static discharge: Not available. of Various Substances SMALL FIRE: Use DRY chemical powder. Fire Fighting Media and InstructionsLARGE FIRE: Use water spray, fog or foam. Do not use water jet. Not available. Special Remarks on Fire Hazards Special Remarks on Explosion Not available. Hazards Section 6. Accidental Release Measures Small SpillUse 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 SpillUse 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. Prednisolone acetate Section 7. Handling and Storage PrecautionsKeep away from heat. Keep away from sources of ignition. Ground all equipment containing material. Do not breathe dust. StorageKeep container tightly closed. Keep container in a cool, well-ventilated area. Section 8. Exposure Controls/Personal Protection Engineering ControlsUse 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 Safety glasses. Lab coat. Dust respirator. Be sure to use an approved/certified respirator or equivalent. Gloves. Personal Protection in Case of Splash goggles. Full suit. Dust respirator. Boots. Gloves. A self contained breathing apparatus should be used a Large Spillto avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling this product. Exposure LimitsNot available. Section 9. Physical and Chemical Properties Physical state and appearance Solid. (Solid crystalline powder.)OdorOdorless. TasteNot available. Molecular Weight402.49 g/mole ColorWhite. pH (1% soln/water)Not available. Boiling PointNot available. Melting PointDecomposes. (237°C or 458.6°F) Critical TemperatureNot available. Not available. Specific Gravity Vapor PressureNot applicable. Vapor DensityNot available. VolatilityNot available. Odor ThresholdNot available. Not available. Water/Oil Dist. Coeff. Ionicity (in Water)Not available. See solubility in water, methanol, acetone. Dispersion Properties SolubilitySoluble in methanol, acetone. Section 10. Stability and Reactivity Data StabilityThe product is stable. Not available. Instability Temperature Conditions of InstabilityNot available. Incompatibility with variousNot available. substances CorrosivityNon-corrosive in presence of glass. Prednisolone acetate Special Remarks onNot available. Reactivity Special Remarks onNot available. Corrosivity PolymerizationNo. Section 11. Toxicological Information Routes of EntryInhalation. Ingestion. Toxicity to AnimalsLD50: Not available. LC50: Not available. Chronic Effects on Humans Not available. Other Toxic Effects onSlightly hazardous in case of skin contact (irritant), of ingestion, of inhalation. Humans Special Remarks onNot available. Toxicity to Animals Special Remarks on May cause adverse reproductive effects and birth defects (teratogenic). Chronic Effects on Humans Excreted in maternal milk in human. Special Remarks on otherAcute Potential Health Effects: Toxic Effects on HumansSkin: May cause skin irritation. It may be absorbed through the skin. Eyes: Dust may cause eye irritation. Inhalation: Dust may cause respiratory tract irritation. Ingestion: May cause gastrointestinal tract irritation. May also affect behavior (toxic psychosis), metabolism (anorexia), and urinary system. This material is readily absorbed from the gastrointestinal tract. Ingestion of a massive single dose is unlikely to cause adverse effects. Chronic Potential Health Effects: Prolonged or repeated exposure by inhalation, ingestion, or skin contact may cause allergic reaction (possible hypersensitization). Other symptoms of chronic overdose effects may include, acne or other skin problems, weight loss or weight gain, hip or shoulder pain, fullness in face, fluid retention associated with sodium retention, potassium loss,swelling of feet or lower legs, excess or abnormal thirst, menstrual irregularities, nausea, vomiting, irregular heartbeat, muscle cramps, weakness, osteoporosis, increased susceptibility to infection, psychosis, and eye problems. May also affect urinary system (polyuria), liver, adrenal gland. Section 12. Ecological Information EcotoxicityNot available. BOD5 and CODNot available. Products of BiodegradationPossibly hazardous short term degradation products are not likely. However, long term degradation products may arise. The product itself and its products of degradation are not toxic. Toxicity of the Products of Biodegradation Special Remarks on theNot available. Products of Biodegradation Section 13. Disposal Considerations Waste DisposalWaste must be disposed of in accordance with federal, state and local environmental control regulations. Prednisolone acetate Section 14. Transport Information DOT ClassificationNot a DOT controlled material (United States). IdentificationNot applicable. Not applicable. Special Provisions for Transport DOT (Pictograms) Section 15. Other Regulatory Information and Pictograms TSCA 8(b) inventory: Prednisolone acetate Federal and State Regulations CaliforniaCalifornia prop. 65: This product contains the following ingredients for which the State of California has found to cause cancer which would require a warning under the statute: No products were found. Proposition 65 Warnings California prop. 65: This product contains the following ingredients for which the State of California has found to cause birth defects which would require a warning under the statute: No products were found. Other RegulationsEINECS: This product is on the European Inventory of Existing Commercial Chemical Substances (EINECS No. 200-134-1). Canada: Listed on Canadian Domestic Substance List (DSL). China: Not listed on National Inventory. Japan: Not listed on National Inventory (ENCS). Korea: Listed on National Inventory (KECI). Philippines: Mot listed on National Inventory (PICCS). Australia: Listed on AICS. WHMIS (Canada) CLASS D-2A: Material causing other toxic effects (VERY TOXIC). Other Classifications DSCL (EEC) R62- Possible risk of impaired fertility.S36- Wear suitable protective clothing. R63- Possible risk of harm to the unborn child. Health Hazard HMIS (U.S.A.)1 National Fire Protection 1 Flammability 1 Association (U.S.A.) Fire Hazard 1 0 Reactivity Health Reactivity 0 Specific hazard Personal Protection E WHMIS (Canada) (Pictograms) DSCL (Europe) (Pictograms) TDG (Canada) (Pictograms) Prednisolone acetate ADR (Europe) (Pictograms) Protective Equipment Gloves. Lab coat. Dust respirator. Be sure to use an approved/certified respirator or equivalent. Wear appropriate respirator when ventilation is inadequate. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1、急性毒性：大鼠皮下LD50：>240mg/kg；小鼠皮下LD50：3500mg/kg 2、生殖毒性：雌性大鼠经口TDLo：1800mg/kg，2-19天后受孕；雌性小鼠皮下TDLo：96g/kg，11天后受孕； 雌性小鼠静脉TDLo：96mg/kg，11-14天后受孕 CHEMICAL IDENTIFICATION RTECS NUMBER : TU4152500 CHEMICAL NAME : Pregna-1,4-diene-3,20-dione, 11-beta,17,21-trihydroxy-, 21-acetate CAS REGISTRY NUMBER : 52-21-1 BEILSTEIN REFERENCE NO. : 3111798 LAST UPDATED : 199612 DATA ITEMS CITED : 7 MOLECULAR FORMULA : C23-H30-O6 MOLECULAR WEIGHT : 402.53 WISWESSER LINE NOTATION : L E5 B666 OV AHTTT&J A1 CQ E1 FV1OV1 FQ HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : >240 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,713,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 3500 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,713,1982 ** REPRODUCTIVE DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 1800 mg/kg SEX/DURATION : female 2-19 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Fertility - abortion REFERENCE : FESTAS Fertility and Sterility. (American Fertility Soc., 608 13th Ave. S, Birmingham, AL 35282) V.1- 1950- Volume(issue)/page/year: 22,735,1971 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous DOSE : 96 mg/kg SEX/DURATION : female 11 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) REFERENCE : SEIJBO Senten Ijo. Congenital Anomalies. (Nippon Senten Ijo Gakkai, c/o Kinki Daigaku Igakubu Kaibagaku Kyoshitsu, 380 Nishiyama, Sayama-cho, Mirami-Kawachi-gun, Osaka-fu, Japan) V.1-26, 1960-86. For publisher information, see CGANE7. Volume(issue)/page/year: 13,245,1973 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intravenous DOSE : 96 mg/kg SEX/DURATION : female 11-14 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) REFERENCE : SEIJBO Senten Ijo. Congenital Anomalies. (Nippon Senten Ijo Gakkai, c/o Kinki Daigaku Igakubu Kaibagaku Kyoshitsu, 380 Nishiyama, Sayama-cho, Mirami-Kawachi-gun, Osaka-fu, Japan) V.1-26, 1960-86. For publisher information, see CGANE7. Volume(issue)/page/year: 13,245,1973 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X1855 No. of Facilities: 8 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 138 (estimated) No. of Female Employees: 130 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3752 No. of Facilities: 30 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 726 (estimated) No. of Female Employees: 429 (estimated)

安全

• 符号: GHS06
• 信号词: Danger
• 危害声明: H300
• 警示性声明: Missing Phrase - N15.00950417
• 个人防护装备: Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
• 危害码 (欧洲): T:Toxic
• 风险声明 (欧洲): R25
• 安全声明 (欧洲): S45
• 危险品运输编码: UN 2811 6.1/PG 3
• WGK德国: 3
• RTECS号: TU4152500
• 海关编码: 2937210000

合成路线

28449-43-6 ~% 52-21-1

文献：Hogg et al. Journal of the American Chemical Society, 1955 , vol. 77, p. 4436

24916-88-9 ~% 52-21-1

文献：The Upjohn Company Patent: US5426198 A1, 1995 ;

50-24-8 108-24-7 ~% 52-21-1

文献：Herzog et al. Journal of the American Chemical Society, 1955 , vol. 77, p. 4781,4783

50-03-3 ~% 52-21-1 120612-05-7

文献：Florey; Restivo Journal of Organic Chemistry, 1957 , vol. 22, p. 406,408

上下游产品

上游产品  5
28449-43-6 24916-88-9 50-24-8 108-24-7
50-03-3
下游产品  10
38680-83-0 96346-38-2 2871-71-8 15847-24-2
338-98-7 338-95-4 50-24-8 79-20-9
125-10-0 898-84-0

制备

可由乙酸氢化可的松用微生物或二氧化硒脱氢而制得

海关

海关编码	2937210000