10048-13-2

• 常用中文名：柄曲霉素
• 常用英文名：Sterigmatocystine
• CAS号：10048-13-2
• 分子式：C₁₈H₁₂O₆
• 分子量：324.284
• 相关类别： 原料药 抗生素类药物 其它抗生素类药
• 发布时间：2018-03-25 08:00:00
• 更新时间：2024-01-05 18:33:53
• Sterigmatocystine 是黄曲霉素的前体,是由 Aspergillus versicolor 产生的一种霉菌素,具有致畸致癌的作用。

名称

• 中文名: 柄曲菌素
• 英文名: sterigmatocystin
• 中文别名: 柄曲霉素
• 英文别名: 8-hydroxy-6-(methyloxy)-3a,12c-dihydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one; STERIGMATOCYSTIN; 7H-Furo(3',2':4,5)furo(2,3-c)xanthen-7-one, 3a,12c-dihydro-8-hydroxy-6-methoxy-; 7H-Furo[3',2':4,5]furo[2,3-c]xanthen-7-one, 3a,12c-dihydro-8-hydroxy-6-methoxy-; MFCD00005084; EINECS 233-158-6; 3a,12c-Dihydro-8-hydroxy-6-methoxy-7H-furo(3',2':4,5)furo(2,3-c)xanthen-7-one; 8-Hydroxy-6-methoxy-3a,12c-dihydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one

物化性质

• 密度: 1.5±0.1 g/cm3
• 沸点: 569.7±50.0 °C at 760 mmHg
• 熔点: 246ºC with decomp
• 分子式: C₁₈H₁₂O₆
• 分子量: 324.284
• 闪点: 215.9±23.6 °C
• 精确质量: 324.063385
• PSA: 78.13000
• LogP: 1.62
• 外观性状: 淡黄色固体
• 蒸汽压: 0.0±1.6 mmHg at 25°C
• 折射率: 1.686
• 储存条件:

  充氩密闭于0 ºC以下阴凉干燥环境中

• 稳定性:

  遵照规定使用和储存则不会分解。

• 分子结构:

  1、 摩尔折射率：81.74

  2、 摩尔体积（m³/mol）：214.7

  3、 等张比容（90.2K）：605.7

  4、 表面张力（3.0 dyne/cm）：63.2

  5、 极化率（0.5 10 ^-24cm ³）：32.40

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：3.4

  2、 氢键供体数量：1

  3、 氢键受体数量：6

  4、 可旋转化学键数量：1

  5、 拓扑分子极性表面积（TPSA）：74.2

  6、 重原子数量：24

  7、 表面电荷：0

  8、 复杂度：562

  9、 同位素原子数量：0

  10、 确定原子立构中心数量：2

  11、 不确定原子立构中心数量：0

  12、 确定化学键立构中心数量：0

  13、 不确定化学键立构中心数量：0

  14、 共价键单元数量：1

• 更多:

  1. 性状：浅黄色针状结晶

  2. 密度（g/mL,25/4℃）：无可用

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：246

  5. 沸点（ºC,常压）：无可用

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：无可用

  8. 闪点（ºC）：无可用

  9. 比旋光度（º）：无可用

  10. 自燃点或引燃温度（ºC）：无可用

  11. 蒸气压（kPa,25ºC）：无可用

  12. 饱和蒸气压（kPa,60ºC）：无可用

  13. 燃烧热（KJ/mol）：无可用

  14. 临界温度（ºC）：无可用

  15. 临界压力（KPa）：无可用

  16. 油水（辛醇/水）分配系数的对数值：无可用

  17. 爆炸上限（%,V/V）：无可用

  18. 爆炸下限（%,V/V）：无可用

  19. 溶解性：无可用

生物活性

• 描述: Sterigmatocystine 是黄曲霉素的前体,是由 Aspergillus versicolor 产生的一种霉菌素,具有致畸致癌的作用。
• 相关类别:
  研究领域 >> 癌症
  信号通路 >> 其他 >> 其他
• 参考文献:

  [1]. Kusunoki M, et al. Long-term administration of the fungus toxin, sterigmatocystin, induces intestinal metaplasia and increases the proliferative activity of PCNA, p53, and MDM2 in the gastric mucosa of aged Mongolian gerbils. Environ Health Prev Med. 2011 Jul;16(4):224-31.

  [2]. Schroeder HW, et al. Production of sterigmatocystin by some species of the genus Aspergillus and its toxicity to chicken embryos. Appl Microbiol. 1975 Oct;30(4):589-91.

MSDS

Name: Sterigmatocystin Material Safety Data Sheet Synonym: CAS: 10048-13-2 Section 1 - Chemical Product MSDS Name:Sterigmatocystin Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 10048-13-2 Sterigmatocystin ca 100 233-158-6 Hazard Symbols: T Risk Phrases: 23/24/25 40 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Toxic by inhalation, in contact with skin and if swallowed. Limited evidence of a carcinogenic effect. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. May cause liver and kidney damage. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: May cause liver and kidney damage. May cause cancer according to animal studies. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Extinguishing Media: Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 10048-13-2: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Crystals Color: yellow crystalline powder Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Decomposes Freezing/Melting Point: 240 - 246 deg C Autoignition Temperature: Not applicable. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: > 246 deg C Solubility in water: Insoluble. Specific Gravity/Density: Molecular Formula: C18H12O6 Molecular Weight: 324.28 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Incompatible materials, dust generation, excess heat. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 10048-13-2: LV1750000 LD50/LC50: CAS# 10048-13-2: Oral, mouse: LD50 = >800 mg/kg; Oral, rat: LD50 = 120 mg/kg. Carcinogenicity: Sterigmatocystin - California: carcinogen, initial date 4/1/88 IARC: Group 2B carcinogen Other: See actual entry in RTECS for complete information. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.* Hazard Class: 6.1 UN Number: 2811 Packing Group: III IMO Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing Group: III RID/ADR Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: T Risk Phrases: R 23/24/25 Toxic by inhalation, in contact with skin and if swallowed. R 40 Limited evidence of a carcinogenic effect. Safety Phrases: S 28A After contact with skin, wash immediately with plenty of water. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. S 37 Wear suitable gloves. S 38 In case of insufficient ventilation, wear suitable respiratory equipment. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 10048-13-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 10048-13-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 10048-13-2 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 有毒。有致癌可能性。 生态学数据: 该物质对环境可能有危害，对水体应给予特别注意。 CHEMICAL IDENTIFICATION RTECS NUMBER : LV1750000 CAS REGISTRY NUMBER : 10048-13-2 LAST UPDATED : 199609 DATA ITEMS CITED : 58 MOLECULAR FORMULA : C18-H12-O6 MOLECULAR WEIGHT : 324.30 WISWESSER LINE NOTATION : T E6 C6 B655 DO KV PO RO SU&&&TTJ IQ MO1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 120 mg/kg TOXIC EFFECTS : Liver - hepatitis (hepatocellular necrosis), diffuse Liver - fatty liver degeneration Kidney, Ureter, Bladder - changes primarily in glomeruli TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 60 mg/kg TOXIC EFFECTS : Liver - hepatitis (hepatocellular necrosis), diffuse Liver - fatty liver degeneration Kidney, Ureter, Bladder - changes primarily in glomeruli TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : >800 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Primate - monkey DOSE/DURATION : 32 mg/kg TOXIC EFFECTS : Liver - other changes TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Bird - chicken DOSE/DURATION : 41 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Bird - chicken DOSE/DURATION : 10 mg/kg TOXIC EFFECTS : Skin and Appendages - other glands TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Primate - monkey DOSE/DURATION : 520 mg/kg/1Y-I TOXIC EFFECTS : Liver - hepatitis (hepatocellular necrosis), diffuse Liver - fatty liver degeneration Liver - hepatitis, fibrous (cirrhosis, post-necrotic scarring) TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 175 mg/kg/52W-C TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Liver - hepatitis, fibrous (cirrhosis, post-necrotic scarring) Liver - tumors TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 560 mg/kg/70W-I TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors Skin and Appendages - tumors TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 240 mg/kg/23W-I TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Tumorigenic - tumors at site of application TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 96 mg/kg/24W-I TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors Tumorigenic - tumors at site of application TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1840 mg/kg/73W-C TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Primate - monkey DOSE/DURATION : 1040 mg/kg/2Y-I TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 3 mg/kg/93W-C TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 3227 mg/kg/55W-I TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Liver - angiosarcoma Lungs, Thorax, or Respiration - tumors TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 113 mg/kg/54W-I TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 2759 mg/kg/55W-C TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors Liver - angiosarcoma TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 60 mg/kg/4W-I TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 60 mg/kg/16W-I TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors TYPE OF TEST : Morphological transformation TYPE OF TEST : Cytogenetic analysis TYPE OF TEST : Sister chromatid exchange TYPE OF TEST : Cytogenetic analysis MUTATION DATA TEST SYSTEM : Bird - chicken DOSE/DURATION : 22 ug/kg REFERENCE : 47JMAE "Cytogenetic Assays of Environmental Mutagens," Hsu, T.C., ed., Totowa, NJ, Allanheld, Osmun & Co., 1982 Volume(issue)/page/year: -,137,1982 *** REVIEWS *** IARC Cancer Review:Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 10,245,1976 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 10,245,1976 IARC Cancer Review:Group 2B IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987 TOXICOLOGY REVIEW MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 26,225,1974 TOXICOLOGY REVIEW 85CVA2 "Oncology 1970, Proceedings of the Tenth International Cancer Congress," Chicago, Year Book Medical Pub., 1971 Volume(issue)/page/year: 5,257,1970 TOXICOLOGY REVIEW BLFSBY Basic Life Sciences. (Plenum Pub. Corp., 223 Spring St., New York, NY 10003) V.1- 1973- Volume(issue)/page/year: 24,129,1983

安全

• 符号: GHS06, GHS08
• 信号词: Danger
• 危害声明: H301-H351
• 警示性声明: P281-P301 + P310
• 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): 36/37-45
• 危险品运输编码: UN 3462 6
• WGK德国: 3
• RTECS号: LV1750000
• 包装等级: III
• 危险类别: 6.1(b)
• 海关编码: 2932999099

海关

海关编码	2932999099
中文概述	2932999099. 其他仅含氧杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途
Summary	2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%