21-乙酸肾上腺酮 | 1173-26-8

• 物质功能分类: 分析化学 - 标准品 - 分析标准品
• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 中文名称: 21-乙酸肾上腺酮
• 中文别名: 肾上腺酮21-乙酯；皮质甾酮-21-乙酸酯
• 英文名称: corticosterone-21-acetate
• 英文别名: Corticosterone acetate；[2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
• CAS: 1173-26-8
• 化学式: C₂₃H₃₂O₅
• 分子量: 388.504
• InChiKey: WKQCPUMQBMFPLC-ZWFCQKKLSA-N

物化性质

• 熔点：
  151 °C
• 沸点：
  434.19°C (rough estimate)
• 密度：
  1.0775 (rough estimate)
• 溶解度：
  可溶于丙酮（少许）、氯仿（少许）、乙酸乙酯（少许）
• 稳定性/保质期：
  如果按照规定使用和储存，则不会发生分解，目前没有已知的危险反应，请避免与氧化物接触。

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  80.7
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S36
• 危险类别码：
  R43
• WGK Germany：
  3
• RTECS号：
  GM7820000
• 储存条件：
  请将贮藏器密封保存，并置于阴凉干燥处。确保工作环境具备良好的通风或排气设施。

SDS

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Section I.Chemical Product and Company Identification
Chemical Name Corticosterone 21-Acetate
Portland OR
Synonym Pregn-4-ene-3,20-dione, 21-(acetyloxy)-11-
hydroxy-, (11-beta)- (9 CI)
Chemical Formula C23H32O5
CAS Number 1173-26-8

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Section II. Composition and Information on Ingredients
Toxicology Data
Chemical Name CAS Number Percent (%) TLV/PEL
Corticosterone 21-Acetate Min. Not available. Not available.
1173-26-8
98.0(HPLC)

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Section III. Hazards Identification
Acute Health Effects No specific information is available in our data base regarding the toxic effects of this material for humans. However,
exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
this compound. Follow safe industrial hygiene practices and always wear proper protective equipment when handling this
compound.
Chronic Health Effects CARCINOGENIC EFFECTS : Not available.
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: REPRODUCTIVE EFFECTS:
Rat TDLo (intraperitoneal) 250mg/kg, female, 3 Days prior to mating.
Toxic Effects:
Maternal Effects- Ovaries, fallopian tubes.
Maternal Effects- Uterus, cervix, vagina.
Maternal Effects- Menstrual cycle changes or disorders.
Rat TDLo (intraperitoneal) 250mg/kg, male, 1 Day prior to mating.
Toxic Effects:
Paternal Effects- Testes, epididymis, sperm duct.
Mouse TDLo (subcutaneous) 7200mg/kg, female, 11-14 Days of pregnancy.
Toxic Effects:
Effects on Fertility- Post-implantation mortality.
Effects on Embryo or Fetus- Fetotoxicity.
Specific Developmental Abnormalities- Craniofacial.
Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.

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Section IV. First Aid Measures
Eye Contact Check 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.
Skin Contact
In case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing
before reuse. Thoroughly clean shoes before reuse. Get medical attention.
If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or
Inhalation
waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
improve.
Ingestion INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.
Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the
toxic material was ingested; the absence of such signs, however, is not conclusive.
Continued on Next Page
Corticosterone 21-Acetate

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Section V. Fire and Explosion Data
Not available.
Flammability May be combustible at high temperature. Auto-Ignition
Flash Points Flammable Limits
Not available. Not available.
Combustion Products
These products are toxic carbon oxides (CO, CO 2).
Fire Hazards
Not available.
Explosion Hazards 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.
Fire Fighting Media
SMALL FIRE: Use DRY chemical powder.
LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
and Instructions
Consult with local fire authorities before attempting large scale fire-fighting operations.

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Section VI. Accidental Release Measures
Spill Cleanup Light sensitive material.
Instructions Use a shovel to put the material into a convenient waste disposal container. Finish cleaning the spill by rinsing any
contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on
disposal.

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Section VII. Handling and Storage
Handling and Storage LIGHT SENSITIVE. Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the container and
store in a dry, cool place. Avoid excessive heat and light. Do not breathe dust.
Information
Always store away from incompatible compounds such as oxidizing agents.

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Section VIII. 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. Dust respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult
a specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent.
Exposure Limits Not available.

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Section IX. Physical and Chemical Properties
Solubility
Physical state @ 20°C Solid. (White powder.) Not available.
Not available.
Specific Gravity
Molecular Weight 388.50 Partition Coefficient Not available.
Boiling Point
Not available. Vapor Pressure Not applicable.
Melting Point 145 to 146°C (293 to 294.8°F) Vapor Density Not available.
Refractive Index Not available. Volatility Not available.
Critical Temperature Not available. Odor Not available.
Viscosity Not available. Taste Not available.

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Section X. Stability and Reactivity Data
Stability

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This material is stable if stored under proper conditions. (See Section VII for instructions)
Conditions of Instability Light sensitive. Avoid excessive heat and light.
Incompatibilities
Reactive with oxidizing agents.
Continued on Next Page
Corticosterone 21-Acetate

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Section XI. Toxicological Information
RTECS Number GM7820000
Routes of Exposure Eye Contact. Ingestion. Inhalation.
Toxicity Data Not available.
CARCINOGENIC EFFECTS : Not available.
Chronic Toxic Effects
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: REPRODUCTIVE EFFECTS:
Rat TDLo (intraperitoneal) 250mg/kg, female, 3 Days prior to mating.
Toxic Effects:
Maternal Effects- Ovaries, fallopian tubes.
Maternal Effects- Uterus, cervix, vagina.
Maternal Effects- Menstrual cycle changes or disorders.
Rat TDLo (intraperitoneal) 250mg/kg, male, 1 Day prior to mating.
Toxic Effects:
Paternal Effects- Testes, epididymis, sperm duct.
Mouse TDLo (subcutaneous) 7200mg/kg, female, 11-14 Days of pregnancy.
Toxic Effects:
Effects on Fertility- Post-implantation mortality.
Effects on Embryo or Fetus- Fetotoxicity.
Specific Developmental Abnormalities- Craniofacial.
Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.
Acute Toxic Effects No specific information is available in our data base regarding the toxic effects of this material for humans. However,
exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
this compound. Follow safe industrial hygiene practices and always wear proper protective equipment when handling this
compound.

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Section XII. Ecological Information
Ecotoxicity Not available.
Environmental Fate Not available.

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Section XIII. Disposal Considerations
Waste Disposal Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
federal, state and local regulations when disposing of the substance.

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Section XIV. Transport Information
DOT Classification Not a DOT controlled material (United States).
PIN Number Not applicable.
Proper Shipping Name
Not applicable.
Packing Group (PG) Not applicable.
DOT Pictograms

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Section XV. Other Regulatory Information and Pictograms
TSCA Chemical Inventory This product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40
CFR 720.36 (C) for those products not on the inventory list:
(EPA)
(i) These products are supplied solely for use in research and development by or under the supervision of a technically
qualified individual as defined in 40 CFR 720.0 et sec.
(ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
supplied on an MSDS sheet.
WHMIS Classification Not available.
(Canada)
EINECS Number (EEC) 214-635-8
EEC Risk Statements
Not available.
Japanese Regulatory Data Not available.
Continued on Next Page

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  21-乙酸肾上腺酮 在 甲醇 、 potassium hydrogencarbonate 作用下， 生成 肾上腺酮
  参考文献：
  名称：

  关于肾上腺皮质成分及相关物质。第70部分。皮质酮的部分合成

  摘要：

  DOI：

  10.1002/hlca.194402701164
• 作为产物：
  描述：

  氢化可的松 在 吡啶 、 碘代三甲硅烷 作用下， 以 乙腈 为溶剂， 反应 3.0h， 生成 21-乙酸肾上腺酮
  参考文献：
  名称：

  [EN] NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF
  [FR] STÉROÏDES NEUROACTIFS, COMPOSITIONS, ET LEURS UTILISATIONS

  摘要：

  公开号：

  WO2013188792A3

文献信息

• ANTIMICROBIAL CATIONIC POLYCARBONATES
  申请人：INTERNATIONAL BUSINESS MACHINES CORPORATION

  公开号：US20140301967A1

  公开（公告）日：2014-10-09

  Antimicrobial cationic polymers having one or two cationic polycarbonate chains were prepared by organocatalyzed ring opening polymerization. One antimicrobial cationic polymer has a polymer chain consisting essentially of cationic carbonate repeat units linked to one or two end groups. The end groups can comprise a covalently bound form of biologically active compound such as cholesterol. Other antimicrobial cationic polymers have a random copolycarbonate chain comprising a minor mole fraction of hydrophobic repeat units bearing a covalently bound form of a vitamin E and/or vitamin D2. The cationic polymers exhibit high activity and selectivity against Gram-negative and Gram-positive microbes and fungi.

  具有一个或两个阳离子聚碳酸酯链的抗菌阳离子聚合物是通过有机催化的环氧开聚合制备的。其中一种抗菌阳离子聚合物具有基本由阳离子碳酸酯重复单元构成的聚合物链，与一个或两个末端基团相连。末端基团可以包括胆固醇等生物活性化合物的共价结合形式。其他抗菌阳离子聚合物具有随机共聚碳酸酯链，其中含有少量疏水重复单元，带有维生素E和/或维生素D2的共价结合形式。这些阳离子聚合物对革兰氏阴性和革兰氏阳性微生物和真菌表现出高活性和选择性。
• An Intramolecular Iodine‐Catalyzed C(sp ³ )−H Oxidation as a Versatile Tool for the Synthesis of Tetrahydrofurans
  作者：Vanessa Koch、Stefan Bräse

  DOI：10.1002/ejoc.202100652

  日期：2021.6.25

  The first iodine-catalyzed cyclization reaction of aliphatic primary and secondary alcohols gives access to tetrahydrofurans through an intramolecular C(sp3)−H activation. The reaction proceeds under mild reactions using either a floodlight lamp or daylight.

  脂肪族伯醇和仲醇的第一个碘催化环化反应通过分子内 C(sp 3 )-H 活化获得四氢呋喃。该反应在使用泛光灯或日光的温和反应下进行。
• POLYCARBONATES FOR DELIVERY OF DRUGS AND METHODS OF PREPARATION THEREOF
  申请人：Hedrick James Lupton

  公开号：US20120232018A1

  公开（公告）日：2012-09-13

  A cyclic carbonate monomer has the formula (2): wherein i) t and t′ are integers independently having a value from 0 to 6 wherein t′ and t cannot both be zero, ii) each Q 1 is a monovalent radical independently selected from the group consisting of hydrogen, halides, alkyl groups comprising 1 to 30 carbons, and aryl groups comprising 6 to 30 carbon atoms, iii) L′ is a divalent linking group comprising one or more carbons, and iv) S′ is a steroidal group.

  一个环状碳酸酯单体的化学式为(2)：其中i) t和t'是整数，其值独立地从0到6，其中t'和t不能同时为零，ii) 每个Q1是单价基团，独立地选自氢、卤素、碳原子数为1到30的烷基基团，以及碳原子数为6到30的芳基基团，iii) L'是一个含有一个或多个碳原子的二价连接基团，iv) S'是一个类固醇基团。
• Synthesis and characterization of the 6α- and 6β-hydroxylated derivatives of corticosterone, 11-dehydrocorticosterone, and 11-deoxycortisol
  作者：Gijsbert P.B. Kraan、Kees T. van Wee、Bert G. Wolthers、Jan C. van der Molen、Gijs T. Nagel、Nick M. Drayer、Daan van Leusen

  DOI：10.1016/0039-128x(93)90009-c

  日期：1993.10

  This report describes the synthesis of 6alpha,17,21- and 6beta,17,21-trihydroxypregn-4-ene-3,20-dione, 6alpha,7,21- and 6beta,11beta,21-trihydroxypregn-4-ene-3,20-dione, and-for the first time-that of 6alpha,21- and 6beta,21-dihydroxypregn-4-ene-3,11,20-trione. The former four compounds were prepared by 6-hydroxylation of 17,21-trihydroxypregn-4-ene-3,20-dione and 11beta,21-dihydroxypregn-4-ene-3,20-dione

  本报告描述了 6alpha,17,21- 和 6beta,17,21-trihydroxypregn-4-ene-3,20-dione、6alpha,7,21- 和 6beta,11beta,21-trihydroxypregn-4-ene-的合成3,20-dione，以及首次出现的 6alpha,21- 和 6beta,21-dihydroxypregn-4-ene-3,11,20-trione。前四种化合物分别通过 17,21-trihydroxypregn-4-ene-3,20-dione 和 11beta,21-dihydroxypregn-4-ene-3,20-dione 的 6-羟基化制备。这是通过后两种类固醇的 3-甲氧基-孕-3,5-二烯的自氧化或用 3-氯过苯甲酸氧化来实现的。6beta-羟基化类固醇的产量，但不是它们相应的6alpha-差向异构体，使用自动氧化比过酸更高。两种
• VITAMIN FUNCTIONALIZED GEL-FORMING BLOCK COPOLYMERS FOR BIOMEDICAL APPLICATIONS
  申请人：INTERNATIONAL BUSINESS MACHINES CORPORATION

  公开号：US20140301970A1

  公开（公告）日：2014-10-09

  Gel-forming block copolymers were prepared comprising i) a central hydrophilic block consisting essentially of a divalent poly(ethylene oxide) chain and ii) two peripheral monocarbonate or polycarbonate hydrophobic blocks. The hydrophobic blocks comprise one or more vitamin-bearing subunits. The vitamin-bearing subunits comprise a carbonate backbone portion and a side chain comprising a covalently bound form of a vitamin. The gel-forming block copolymers can be used to prepare various biodegradable and/or biocompatible hydrogel and organogel drug compositions, in particular antimicrobial and/or anti-tumor drug compositions. The hydrogel compositions can be suitable for depot injections. Synergistic enhancement of toxicity to microbes was observed with compositions comprising an antimicrobial cationic polymer and an antimicrobial compound.

  制备了包括i) 主要由二价聚乙二醇链组成的中心亲水性块和ii) 两个周边单碳酸酯或多碳酸酯疏水性块的凝胶形成嵌段共聚物。疏水性块包括一个或多个含维生素的亚基。含维生素的亚基包括碳酸酯骨架部分和一个侧链，该侧链包括一种维生素的共价结合形式。这些凝胶形成嵌段共聚物可用于制备各种可生物降解和/或生物相容的水凝胶和有机凝胶药物组合物，特别是抗微生物和/或抗肿瘤药物组合物。水凝胶组合物适用于局部注射。观察到了与包括抗微生物阳离子聚合物和抗微生物化合物的组合物相比，对微生物毒性的协同增强效果。

表征谱图