6106-07-6

• 常用中文名：L-甲状腺素钠五水合物(左甲状腺素钠)
• 常用英文名：Sodium levothyroxine pentahydrate
• CAS号：6106-07-6
• 分子式：C₁₅H₂₀I₄NNaO₉
• 分子量：888.928
• 相关类别： 研究领域 内分泌
• 发布时间：2018-03-26 08:00:00
• 更新时间：2024-01-17 16:24:19
• L-Thyroxine sodium salt pentahydrate (Levothyroxine; T4) 是一种合成的甲状腺激素，用于治疗甲状腺功能减退症。DIO 酶将 L-Thyroxine (T4) 转化成具有生物活性的三碘甲状腺氨酸 (T3)。

名称

• 中文名: L-甲状腺素 钠盐 五水合物
• 英文名: L-Thyroxine sodium salt pentahydrate
• 中文别名: 左旋甲状腺素钠五水合物
• 英文别名: MFCD00149110; EINECS 200-221-4; Sodium (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate hydrate (1:1:5); L-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-, sodium salt, hydrate (1:1:5); sodium,(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate,pentahydrate; L-Thyroxine (sodium salt pentahydrate)

物化性质

• 密度: 2.381
• 熔点: 207-210 (dec.)(lit.)
• 分子式: C₁₅H₂₀I₄NNaO₉
• 分子量: 888.928
• 精确质量: 888.721436
• PSA: 141.76000
• LogP: 3.60140
• 外观性状: powder
• 储存条件: 2-8°C
• 水溶解性: cell culture medium: 0.1 mg/mL
• 分子结构:

  1、摩尔折射率：无可用的

  2、摩尔体积（cm³/mol）：无可用的

  3、等张比容（90.2K）：无可用的

  4、表面张力（dyne/cm）：无可用的

  5、介电常数：无可用的

  6、极化率（10^-24cm³）：无可用的

  7、单一同位素质量：888.721416Da

  8、标称质量：889Da

  9、平均质量：888.9282Da

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：

  2、 氢键供体数量：7

  3、 氢键受体数量：10

  4、 可旋转化学键数量：5

  5、 互变异构体数量：2

  6、 拓扑分子极性表面积（TPSA）：101

  7、 重原子数量：30

  8、 表面电荷：0

  9、 复杂度：426

  10、 同位素原子数量：0

  11、 确定原子立构中心数量：1

  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：7

• 更多:

  1. 性状：粉末。

  2. 密度（g/mL,25/4℃）：2.381

  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,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：未确定。

生物活性

• 描述: L-Thyroxine sodium salt pentahydrate (Levothyroxine; T4) 是一种合成的甲状腺激素,用于治疗甲状腺功能减退症。DIO 酶将 L-Thyroxine (T4) 转化成具有生物活性的三碘甲状腺氨酸 (T3)。
• 相关类别:
  信号通路 >> 其他 >> 甲状腺激素受体
  研究领域 >> 内分泌
• 靶点:

  Thyroid Hormone Receptor

• 体内研究: 催化甲状腺素(前激素)转化为活性甲状腺激素的脱碘酶(DIO)与促甲状腺激素(TSH)水平有关。与DIO3相比,DIO1和DIO2催化甲状腺激素分泌的激活,起到分泌失活的作用。 DIO1和DIO2的活性在垂体TSH分泌的负反馈调节中起关键作用[1]。已知L-甲状腺素(T4)和三碘甲腺原氨酸(T3)激素调节离子通道,泵和调节性收缩蛋白的表达。此外,已显示甲状腺激素影响钙稳态和负责激发和收缩的通量,L-甲状腺素和三碘甲状腺原氨酸调节其药理控制和分泌。在用无碘饮食喂养12周的大鼠中,与用标准饮食喂养的对照组相比,观察到三碘甲腺原氨酸和L-甲状腺素水平的显着降低(p <0.001)。在用低剂量L-甲状腺素治疗的组中,观察到L-甲状腺素水平的增加(p = 0.02),而三碘甲状腺原氨酸水平实际上与对照组相似(p = 0.19)。与未治疗的甲状腺功能减退组相比,用高剂量L-甲状腺素治疗的大鼠显示三碘甲状腺原氨酸和L-甲状腺素循环浓度显着增加(分别为p <0.001和p = 0.004),并且L-甲状腺素水平显着增加与对照值相比(p = 0.03)[2]。
• 动物实验: 使用大鼠[2] Sprague-Dawley雌性大鼠（N = 22）。非妊娠大鼠分为四组：1）对照，2）甲状腺功能减退，3）用低剂量L-甲状腺素（20μg/ kg /天）治疗甲状腺功能减退症和4）高剂量L-甲状腺素（100μg） / kg /天）。对照大鼠（组1）用标准饮食喂养，而干预大鼠用无碘饮食喂养12周以诱导甲状腺功能减退（2-4组），持续4周以允许筛查甲状腺功能减退状态和L -Thyroxine处理。随意提供食物和水（无碘饮食）。用低（第3组）或高剂量的L-甲状腺素（第4组）治疗的甲状腺功能减退组每24小时腹膜内注射，分别为20μg/ kg /天和100μg/ kg /天。在开始对照或无碘饮食后，在第12和16周收集血样用于甲状腺功能筛查。在治疗结束时在全身麻醉（异氟醚2％）下进行子宫切除术，并将两个子宫角放置在生理Krebs溶液中，直到等长张力测量不超过1小时。
• 参考文献:

  [1]. Arici M, et al. Association between genetic polymorphism and levothyroxine bioavailability in hypothyroid patients. Endocr J. 2018 Jan 11.

  [2]. Corriveau S, et al. Levothyroxine treatment generates an abnormal uterine contractility patterns in an in vitro animalmodel. J Clin Transl Endocrinol. 2015 Sep 9;2(4):144-149.

MSDS

Name: L-Thyroxine Sodium Salt Pentahydrate 99% Material Safety Data Sheet Synonym: L-Thyroxine, Sodium Salt, Pentahydrate; L-3,3',5,5'-Tetraiodothyronine sodium salt; Eferox, Laevoxin; Letter; Levaxin; Levothroid CAS: 6106-07-6 Section 1 - Chemical Product MSDS Name:L-Thyroxine Sodium Salt Pentahydrate 99% Material Safety Data Sheet Synonym:L-Thyroxine, Sodium Salt, Pentahydrate; L-3,3',5,5'-Tetraiodothyronine sodium salt; Eferox, Laevoxin; Letter; Levaxin; Levothroid Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 6106-07-6 L-Thyroxine, Sodium Salt Pentahydrate 99 unlisted Hazard Symbols: XN Risk Phrases: 20/21 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful by inhalation and in contact with skin. Potential Health Effects Eye: May cause severe eye irritation. Skin: May cause skin irritation. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May cause thyroid abnormalities. Ingestion increases the metabolic rate causing warm, flushed and moist skin, muscular weakness, rapid heart rate, insomnia, nervousness, increased metabolism and weight loss. Effects may be delayed. Inhalation: May cause respiratory tract irritation. May cause effects similar to those described for ingestion. Chronic: Chronic exposure can lead to iodism characterized by salivation, nasal discharge, sneezing, conjunctivitis, fever, laryngitis, bronchitis, stomatitis, and skin rashes. 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 if irritation develops or persists. Wash clothing before reuse. Flush skin with plenty of soap and water. Ingestion: If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately. 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. Dusts at sufficient concentrations can form explosive mixtures with air. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Extinguishing Media: Use alcohol foam, carbon dioxide, or water spray when fighting fires involving this material. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. Storage: Store in a cool, dry place. Hormones and antibiotics room. Keep containers tightly closed. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 6106-07-6: 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: Solid Color: beige grey Odor: Odorless. pH: Not available. Vapor Pressure: Neglilible. Viscosity: Not available. Boiling Point: Not applicable. Freezing/Melting Point: Decomposes. Autoignition Temperature: Not applicable. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: 207-210 deg C Solubility in water: Soluble in water. Specific Gravity/Density: 2.381 Molecular Formula: C15H10I4NO4Na.5H2O Molecular Weight: 888.7491 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, excess heat, oxidizers. Incompatibilities with Other Materials: Explosion hazard when mixed with strong oxidizers. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen iodide, iodide ions (I-). Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 6106-07-6: YP2833760 LD50/LC50: Not available. Carcinogenicity: L-Thyroxine, Sodium Salt Pentahydrate - 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 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: XN Risk Phrases: R 20/21 Harmful by inhalation and in contact with skin. Safety Phrases: S 23 Do not inhale gas/fumes/vapour/spray. WGK (Water Danger/Protection) CAS# 6106-07-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 6106-07-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 6106-07-6 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: 繁殖数据：小鼠皮下最低剂量TDLo：1mg/kg，母鼠受孕后1-20天用。生殖-母体效应-其他影响生殖-对胚胎或胎儿-其他影响胚胎。 CHEMICAL IDENTIFICATION RTECS NUMBER : YP2833760 CHEMICAL NAME : L-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-, sodium salt, pentahydrate CAS REGISTRY NUMBER : 6106-07-6 LAST UPDATED : 199504 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C15-H10-I4-N-O4.Na.5H2-O MOLECULAR WEIGHT : 888.95 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous DOSE : 1 mg/kg SEX/DURATION : female 1-20 day(s) after conception TOXIC EFFECTS : Reproductive - Maternal Effects - other effects Reproductive - Effects on Embryo or Fetus - other effects to embryo REFERENCE : JOENAK Journal of Endocrinology. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1939- Volume(issue)/page/year: 139,275,1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X2466 No. of Facilities: 19 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 399 (estimated) No. of Female Employees: 308 (estimated)

安全

• 个人防护装备: Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
• 危害码 (欧洲): Xn
• 风险声明 (欧洲): 40
• 安全声明 (欧洲): S22-S24/25
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• RTECS号: YP2833760