109946-35-2

• 常用中文名：互变霉素
• 常用英文名：Tautomycin
• CAS号：109946-35-2
• 分子式：C₄₁H₆₆O₁₃
• 分子量：766.95500
• 相关类别： 信号通路 代谢酶/蛋白酶 磷酸酶
• 发布时间：2018-09-22 18:14:15
• 更新时间：2024-01-06 20:29:38
• Tautomycin 是可从 Streptomyces verticillatus 中分离得到的一种真菌类抗生素,是蛋白磷酸酶 1 和 2A 的有效特异性抑制剂,在没有Ca2+ 的情况下诱导平滑肌收缩,Kiapp 值分别为 0.16 nM 和 0.4 nM。

名称

• 中文名: 互变霉素
• 英文名: Tautomycin from Streptomyces spiroverticillatus
• 英文别名: MFCD00236438; tautomycin

物化性质

• 密度: 1.18g/cm3
• 沸点: 854.3ºC at 760mmHg
• 分子式: C₄₁H₆₆O₁₃
• 分子量: 766.95500
• 闪点: 247.5ºC
• 精确质量: 766.45000
• PSA: 192.19000
• LogP: 4.78530
• 外观性状: 固体
• 蒸汽压: 5.62E-34mmHg at 25°C
• 折射率: 1.527
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。远离水源，光照。冷藏温度为-20ºC。常用惰性气体保护。

• 稳定性:

  常温常压下稳定。

• 分子结构:

  1、摩尔折射率：198.83

  2、摩尔体积（cm³/mol）：645.8

  3、等张比容（90.2K）：1712.7

  4、表面张力（dyne/cm）：49.4

  5、介电常数：无可用的

  6、极化率（10^-24cm³）：78.82

  7、单一同位素质量：766.450342 Da

  8、标称质量：766 Da

  9、平均质量：766.9549 Da

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：4.9

  2、 氢键供体数量：3

  3、 氢键受体数量：13

  4、 可旋转化学键数量：21

  5、 互变异构体数量：9

  6、 拓扑分子极性表面积（TPSA）：192

  7、 重原子数量：54

  8、 表面电荷：0

  9、 复杂度：1360

  10、同位素原子数量：0

  11、确定原子立构中心数量：13

  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：固体

  2. 密度（g/mL,25℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC，0.2mmHg）：未确定

  7. 折射率(n20/D)：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（mmHg,20ºC）：未确定

  12. 饱和蒸气压（kPa,25ºC）：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：未确定

生物活性

• 描述: Tautomycin 是可从 Streptomyces verticillatus 中分离得到的一种真菌类抗生素,是蛋白磷酸酶 1 和 2A 的有效特异性抑制剂,在没有Ca2+ 的情况下诱导平滑肌收缩,Kiapp 值分别为 0.16 nM 和 0.4 nM。
• 相关类别:
  信号通路 >> 代谢酶/蛋白酶 >> 磷酸酶
  研究领域 >> 炎症/免疫
• 靶点:

  Kiapp: 0.16 nM (PP1), 0.4 nM (PP2A)[1].

• 体外研究: Tautomycin(0-1000 nM,48小时)以剂量依赖性方式抑制MTC细胞生长[2]。 Tautomycin(0-1000 nM,48小时)以剂量依赖性方式降低人MTC细胞中的NE标记ASCL1和CgA [2]。细胞增殖测定[2]细胞系：人MTC细胞浓度：0-1000nM孵育时间：48小时结果：以剂量依赖性方式抑制MTC细胞生长。蛋白质印迹分析[2]细胞系：人MTC细胞浓度：0-1000nM孵育时间：48小时结果：导致NE标记ASCL1和CgA的剂量依赖性降低。
• 参考文献:

  [1]. MacKintosh C, et al. Tautomycin from the bacterium Streptomyces verticillatus. Another potent and specific inhibitor of protein phosphatases 1 and 2A. FEBS Lett. 1990 Dec 17;277(1-2):137-40.

  [2]. Adler JT, et al. Tautomycetin and tautomycin suppress the growth of medullary thyroid cancer cells via inhibition of glycogen synthase kinase-3beta. Mol Cancer Ther. 2009 Apr;8(4):914-20.

MSDS

Name: Tautomycin Material Safety Data Sheet Synonym: None Known CAS: 109946-35-2 Section 1 - Chemical Product MSDS Name:Tautomycin Material Safety Data Sheet Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 109946-35-2 Tautomycin unlisted Hazard Symbols: T+ Risk Phrases: 28 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Very toxic if swallowed.The toxicological properties of this material have not been fully investigated.Mutagen. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May be fatal if swallowed. May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: Laboratory experiments have resulted in mutagenic effects. 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: Never give anything by mouth to an unconscious person. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask. 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 water spray, dry chemical, carbon dioxide, or chemical 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. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Use only in a chemical fume hood. Storage: Store in a cool, dry place. Store in a tightly closed container. Deep freeze (below -20C). 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# 109946-35-2: 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: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C41H66O13 Molecular Weight: 766.4542 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not currently available. Conditions to Avoid: Dust generation. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 109946-35-2: WX1000000 LD50/LC50: CAS# 109946-35-2: Oral, mouse: LD50 = 7500 ug/kg. Carcinogenicity: Tautomycin - Not listed by ACGIH, IARC, or NTP. 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 Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: T+ Risk Phrases: R 28 Very toxic if swallowed. Safety Phrases: S 1 Keep locked up. S 28A After contact with skin, wash immediately with plenty of water. 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# 109946-35-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 109946-35-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 109946-35-2 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: 1、 急性毒性： 小鼠经口 LD50 ： 7500 μ g/kg ； 小鼠腹膜腔 LD50 ： 5 mg/kg ； 2、 致突变性：形态转变试验：人类白细胞，1mg/L； CHEMICAL IDENTIFICATION RTECS NUMBER : WX1000000 CHEMICAL NAME : Tautomycin CAS REGISTRY NUMBER : 109946-35-2 LAST UPDATED : 199410 DATA ITEMS CITED : 3 MOLECULAR FORMULA : C42-H70-O12.3/2H2-O MOLECULAR WEIGHT : 793.00 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 7500 ug/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 : Rodent - mouse DOSE/DURATION : 5 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value MUTATION DATA TYPE OF TEST : Morphological transformation TEST SYSTEM : Human Leukocyte DOSE/DURATION : 1 mg/L REFERENCE : JANTAJ Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo, 141, Japan) V.2-5, 1948-52; V.21- 1968- Volume(issue)/page/year: 41,932,1988

安全

• 符号: GHS06
• 信号词: Danger
• 危害声明: H300
• 警示性声明: P264-P301 + P310
• 个人防护装备: Eyeshields;Faceshields;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+: Very toxic;
• 风险声明 (欧洲): R28
• 安全声明 (欧洲): S22
• 危险品运输编码: UN 3462 6.1/PG 2
• RTECS号: WX1000000

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