152-43-2

• 常用中文名：炔雌醇环戊醚
• 常用英文名：Quinestrol
• CAS号：152-43-2
• 分子式：C₂₅H₃₂O₂
• 分子量：364.520
• 相关类别： 研究领域 内分泌
• 发布时间：2018-09-16 11:04:25
• 更新时间：2024-01-04 18:28:13
• Quinestrol是一种合成的雌激素, 在激素替代疗法中使用, 偶尔治疗乳腺癌和前列腺癌。

名称

• 中文名: 炔雌醇环戊醚
• 英文名: quinestrol
• 中文别名: 炔雌醚
• 英文别名: 3-(Cyclopentyloxy)-19-nor-17a-pregna-1,3,5(10)-trien-20-yn-17-ol; 17a-Ethinylestradiol 3-Cyclopentyl Ether; 19-Norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-(cyclopentyloxy)-, (17α)-; MFCD00079189; Quinestrol; (8R,9S,13S,14S,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol; Estra-1(10),2,4-trien-17-ol, 3-(cyclopentyloxy)-17-ethynyl-, (17β)-; 17α-Ethynylestradiol 3-Cyclopentyl Ether; (17α)-3-(Cyclopentyloxy)-19-norpregna-1(10),2,4-trien-20-yn-17-ol; EINECS 205-803-1

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 502.5±50.0 °C at 760 mmHg
• 熔点: 107 - 108ºC
• 分子式: C₂₅H₃₂O₂
• 分子量: 364.520
• 闪点: 218.8±24.4 °C
• 精确质量: 364.240234
• PSA: 29.46000
• LogP: 6.67
• 外观性状: 晶体
• 蒸汽压: 0.0±1.4 mmHg at 25°C
• 折射率: 1.596
• 储存条件: 室温
• 水溶解性: 可溶于：二噁烷
• 分子结构:

  1、 摩尔折射率：107.56

  2、 摩尔体积（cm³/mol）：315.9

  3、 等张比容（90.2K）：844.6

  4、 表面张力（dyne/cm）：51.0

  5、 极化率（10-24cm3）：42.64

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  3.氢键受体数量:2

  4.可旋转化学键数量:3

  5.互变异构体数量:无

  6.拓扑分子极性表面积29.5

  7.重原子数量:27

  8.表面电荷:0

  9.复杂度:613

  10.同位素原子数量:0

  11.确定原子立构中心数量:5

  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

生物活性

• 描述: Quinestrol是一种合成的雌激素, 在激素替代疗法中使用, 偶尔治疗乳腺癌和前列腺癌。
• 相关类别:
  信号通路 >> 其他 >> 雌激素受体/ERR
  研究领域 >> 内分泌

MSDS

Revision number: 5 Quinestrol SAFETY DATA SHEET Section1. IDENTIFICATION Quinestrol Product name: 5 Revision number: Section2. HAZARDS IDENTIFICATION GHS classification Not classified PHYSICAL HAZARDS HEALTH HAZARDS Category 2 Carcinogenicity Not classified ENVIRONMENTAL HAZARDS GHS label elements, including precautionary statements Pictograms or hazard symbols Warning Signal word Suspected of causing cancer Hazard statements Precautionary statements: Obtain special instructions before use. [Prevention] Do not handle until all safety precautions have been read and understood. Use personal protective equipment as required. IF exposed or concerned: Get medical advice/attention. [Response] Store locked up. [Storage] Dispose of contents/container through a waste management company authorized by [Disposal] the local government. Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance Substance/mixture: Quinestrol Components: >97.0%(LC)(T) Percent: 152-43-2 CAS Number: 17α-Ethynylestradiol 3-Cyclopentyl Ether Synonyms: C25H32O2 Chemical Formula: Section4. FIRST AID MEASURES Remove victim to fresh air and keep at rest in a position comfortable for breathing. Inhalation: Get medical advice/attention. Remove/Take off immediately all contaminated clothing. Gently wash with plenty of Skin contact: soap and water. Get medical advice/attention. Quinestrol Section4. FIRST AID MEASURES Rinse cautiously with water for several minutes. Remove contact lenses, if present Eye contact: and easy to do. Get medical advice/attention. Get medical advice/attention.Rinse mouth. Ingestion: A rescuer should wear personal protective equipment, such as rubber gloves and air- Protection of first-aiders: tight goggles. Section5. FIRE-FIGHTING MEASURES Dry chemical, foam, water spray, carbon dioxide. Suitable extinguishing media: Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing method according to the surrounding situation is used. Uninvolved persons should evacuate to a safe place. In case of fire in the surroundings: Remove movable containers if safe to do so. When extinguishing fire, be sure to wear personal protective equipment. Special protective equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Use extra personal protective equipment (P3 filter respirator for toxic particles). Keep Personal precautions, protective equipment and people away from and upwind of spill/leak. Entry to non-involved personnel should emergency procedures: be controlled around the leakage area by roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it. containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with up: appropriate laws and regulations. Section7. HANDLING AND STORAGE Precautions for safe handling Handling is performed in a well ventilated place. Wear suitable protective equipment. Technical measures: Prevent dispersion of dust. Wash hands and face thoroughly after handling. Use a closed system if possible. Use a local exhaust if dust or aerosol will be generated. Advice on safe handling: Avoid all contact! Conditions for safe storage, including any incompatibilities Keep container tightly closed. Store in a cool and dark place. Storage conditions: Store locked up. Store away from incompatible materials such as oxidizing agents. Comply with laws. Packaging material: Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Install a closed system or local exhaust. Also install safety shower and eye bath. Engineering controls: Personal protective equipment Respiratory protection: Dust respirator, self-contained breathing apparatus(SCBA), supplied air respirator, etc. Use respirators approved under appropriate government standards and follow local and national regulations. Impervious gloves. Hand protection: Safety goggles. A face-shield, if the situation requires. Eye protection: Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Solid Physical state (20°C): Crystal- Powder Form: White - Almost white Colour: No data available Odour: pH: No data available Melting point/freezing point:110°C Quinestrol Section9. PHYSICAL AND CHEMICAL PROPERTIES No data available Boiling point/range: No data available Flash point: Flammability or explosive limits: No data available Lower: No data available Upper: No data available Relative density: Solubility(ies): No data available [Water] [Other solvents] Dioxane Soluble: Section10. STABILITY AND REACTIVITY Stable under proper conditions. Chemical stability: Possibility of hazardous No special reactivity has been reported. reactions: Incompatible materials: Oxidizing agents Hazardous decomposition Carbon monoxide, Carbon dioxide products: Section11. TOXICOLOGICAL INFORMATION No data available Acute Toxicity: Skin corrosion/irritation: No data available No data available Serious eye damage/irritation: No data available Germ cell mutagenicity: Carcinogenicity: No data available IARC = No data available NTP = No data available Reproductive toxicity: RC8948000 RTECS Number: Section12. ECOLOGICAL INFORMATION Ecotoxicity: No data available Fish: No data available Crustacea: No data available Algae: Persistence / degradability: No data available No data available Bioaccumulative potential(BCF): Mobility in soil No data available Log Pow: No data available Soil adsorption (Koc): No data available Henry's Law constant(PaM3/mol): Section13. DISPOSAL CONSIDERATIONS 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. Section14. TRANSPORT INFORMATION Does not correspond to the classification standard of the United Nations Hazards Class: Not listed UN-No: Quinestrol Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002 and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : RC8948000 CHEMICAL NAME : 19-Nor-17-alpha-pregna-1,3,5(10)-trien-20-yn-17-ol, 3-(cyclopentyloxy)- CAS REGISTRY NUMBER : 152-43-2 LAST UPDATED : 199603 DATA ITEMS CITED : 8 MOLECULAR FORMULA : C25-H32-O2 MOLECULAR WEIGHT : 364.57 WISWESSER LINE NOTATION : L E5 B666TTT&J E1 FQ F1UU1 OO- AL5TJ HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 80 ug/kg SEX/DURATION : female 2 day(s) pre-mating TOXIC EFFECTS : Reproductive - Fertility - other measures of fertility REFERENCE : INJFA3 International Journal of Fertility. (Allen Press, 1041 New Hampshire, St., Lawrence, KS 66044) V.1- 1955- Volume(issue)/page/year: 14,295,1969 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 24 ug/kg SEX/DURATION : lactating female 4 day(s) post-birth TOXIC EFFECTS : Reproductive - Maternal Effects - postpartum REFERENCE : INJFA3 International Journal of Fertility. (Allen Press, 1041 New Hampshire, St., Lawrence, KS 66044) V.1- 1955- Volume(issue)/page/year: 12,261,1967 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 4 mg/kg SEX/DURATION : male 1 day(s) pre-mating TOXIC EFFECTS : Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) Reproductive - Paternal Effects - testes, epididymis, sperm duct Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland, accessory glands REFERENCE : IJEBA6 Indian Journal of Experimental Biology. (Publications & Information Directorate, CSIR, Hillside Rd., New Delhi 110 012, India) V.1- 1963- Volume(issue)/page/year: 9,132,1971 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 24 ug/kg SEX/DURATION : female 12 day(s) pre-mating TOXIC EFFECTS : Reproductive - Maternal Effects - ovaries, fallopian tubes Reproductive - Maternal Effects - uterus, cervix, vagina REFERENCE : INJFA3 International Journal of Fertility. (Allen Press, 1041 New Hampshire, St., Lawrence, KS 66044) V.1- 1955- Volume(issue)/page/year: 20,239,1975 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 60 ug/kg SEX/DURATION : female 30 day(s) pre-mating TOXIC EFFECTS : Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated) REFERENCE : JRPFA4 Journal of Reproduction and Fertility. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1960- Volume(issue)/page/year: 22,49,1970 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 12 ug/kg SEX/DURATION : female 12 day(s) pre-mating TOXIC EFFECTS : Reproductive - Maternal Effects - menstrual cycle changes or disorders REFERENCE : INJFA3 International Journal of Fertility. (Allen Press, 1041 New Hampshire, St., Lawrence, KS 66044) V.1- 1955- Volume(issue)/page/year: 20,239,1975 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 600 ug/kg SEX/DURATION : female 30 day(s) pre-mating TOXIC EFFECTS : Reproductive - Fertility - other measures of fertility REFERENCE : JRPFA4 Journal of Reproduction and Fertility. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1960- Volume(issue)/page/year: 22,49,1970 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Administration onto the skin DOSE : 12 mg/kg SEX/DURATION : male 30 day(s) pre-mating TOXIC EFFECTS : Reproductive - Paternal Effects - testes, epididymis, sperm duct Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland, accessory glands REFERENCE : STEDAM Steroids. (Holden-Day Inc., 4432 Telegraph Ave., Oakland, CA 94609) V.1- 1963- Volume(issue)/page/year: 10,687,1967

安全

• 符号: GHS07, GHS08
• 信号词: Danger
• 危害声明: H302-H312-H332-H350-H360
• 警示性声明: P201-P280-P308 + P313
• 个人防护装备: Eyeshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
• 危害码 (欧洲): T:Toxic;
• 风险声明 (欧洲): R46;R61;R20/21/22
• 安全声明 (欧洲): S53-S22-S36/37/39-S45
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• RTECS号: RC8948000

合成路线

96-41-3 100271-25-8 ~% 152-43-2

文献：Steroids, , vol. 2, p. 387 - 392

96-41-3 124263-27-0 ~% 152-43-2

文献：Gazzetta Chimica Italiana, , vol. 93, p. 1503 - 1519

上下游产品

上游产品  3
96-41-3 100271-25-8 124263-27-0
下游产品  0