56932-43-5

• 常用中文名：8-羟基-7-[(6-磺基-2-萘基)偶氮基]-5-喹啉磺酸
• 常用英文名：NSC-87877 disodium
• CAS号：56932-43-5
• 分子式：C₁₉H₁₁N₃Na₂O₇S₂
• 分子量：503.41600
• 相关类别： 信号通路 细胞凋亡 细胞凋亡
• 发布时间：2019-01-12 16:13:49
• 更新时间：2024-01-02 11:56:54
• NSC-87877 disodium 是一种有效的Shp2 和Shp1 蛋白质酪氨酸磷酸酶抑制剂,IC50 值分别为0.318 μM 和0.355 μM。NSC-87877还抑制双特异性磷酸酶26 (DUSP26)。

名称

• 中文名: 8-羟基-7-[(6-磺基-2-萘基)偶氮基]-5-喹啉磺酸
• 英文名: 8-hydroxy-7-(6-sulfo-2-naphthylazo)-5-quinolinesulfonic acid disodium salt
• 英文别名: naphthylazoxine s; naphthylazoxine 6s; naphthylazoxine s disodium salt; EINECS 260-449-5; NSC87877

物化性质

• 分子式: C₁₉H₁₁N₃Na₂O₇S₂
• 分子量: 503.41600
• 精确质量: 502.98300
• PSA: 189.00000
• LogP: 5.47880
• 外观性状: 粉末
• 储存条件:

  保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置

• 稳定性:

  如果遵照规格使用和储存则不会分解，未有已知危险反应

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：1.2

  2、 氢键供体数量：1

  3、 氢键受体数量：10

  4、 可旋转化学键数量：2

  5、 互变异构体数量：3

  6、 拓扑分子极性表面积（TPSA）：169

  7、 重原子数量：31

  8、 表面电荷：-2

  9、 复杂度：968

  10、 同位素原子数量：0

  11、 确定原子立构中心数量：0

  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：1

  15、 共价键单元数量：1

• 更多:

  1. 性状：粉末

  2. 密度（g/mL,15ºC）：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）：未确定

  6. 沸点（ºC，10mmHg）：未确定

  7. 折射率：未确定

  8. 闪点（°F）：未确定

  9. 比旋光度（ºC）：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：能溶于水的

生物活性

• 描述: NSC-87877 disodium 是一种有效的Shp2 和Shp1 蛋白质酪氨酸磷酸酶抑制剂,IC50 值分别为0.318 μM 和0.355 μM。NSC-87877还抑制双特异性磷酸酶26 (DUSP26)。
• 相关类别:
  信号通路 >> 细胞凋亡 >> 细胞凋亡
  研究领域 >> 癌症
  信号通路 >> 代谢酶/蛋白酶 >> 磷酸酶
• 靶点:

  IC50: 0.318 μM (shp2), 0.355 μM (shp1)[1].

• 体外研究: NSC-87877(0-0.5μM,5天)抑制NB细胞系DUSP26功能[3]。NSC-87877(0-0.5μM,5天)导致p53磷酸化(Ser37和Ser46)增加和活化[3]。细胞活力测定[2]细胞系：p53野生型神经母细胞瘤(NB)细胞系。浓度：0,0.25,0.5μM,培养时间：5天。结果：导致p53磷酸化(Ser37和Ser46)增加和活化,下游p38效应蛋白(热休克蛋白27(HSP27)和MAP激酶激活蛋白激酶2(mapkak 2))的激活和聚ADP核糖聚合酶/半胱天冬酶-3裂解增加。抑制NB细胞系DUSP26功能。IC50浓度分别为1.84μM(IMR32)、6.35μM(SK-N-SH)、8.69μM(NB-19)、12.6μM(SMS-KCN)、15.7μM(SH-SY5Y)、15.8μM(JF)和19.0μM(CHLA-225)时,细胞凋亡。
• 体内研究: NSC-87877(30 mg/kg,每天一次,连续15天)具有良好的抗神经母细胞瘤活性[3]。动物模型：裸鼠肾内神经母细胞瘤(NB)肿瘤小鼠模型[3]。剂量：30 mg/kg。给药：每日一次,连续15天。结果：明显抑制NB肿瘤的生长。
• 参考文献:

  [1]. Chen L, et al. Discovery of a novel shp2 protein tyrosine phosphatase inhibitor. Mol Pharmacol. 2006 Aug;70(2):562-70.

  [2]. Song M, et al. NSC-87877, inhibitor of SHP-1/2 PTPs, inhibits dual-specificity phosphatase 26 (DUSP26). Biochem Biophys Res Commun. 2009 Apr 17;381(4):491-5.

  [3]. Y Shi, et al. NSC-87877 inhibits DUSP26 function in neuroblastoma resulting in p53-mediated apoptosis. Cell Death Dis. 2015 Aug 6;6(8):e1841.

MSDS

Name: 8-Hydroxy-7-(6-Sulfo-2-Naphthylazo)-5-Quinolinesulfonic Acid Disodium Material Safety Data Sheet Synonym: None Known CAS: 56932-43-5 Section 1 - Chemical Product MSDS Name:8-Hydroxy-7-(6-Sulfo-2-Naphthylazo)-5-Quinolinesulfonic Acid Disodium Material Safety Data Sheet Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 56932-43-5 8-Hydroxy-7-(6-Sulfo-2-Naphthylazo)-5- 98 260-449-5 Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: 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: No information found. 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. 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. Runoff from fire control or dilution water may cause pollution. Extinguishing Media: Use agent most appropriate to extinguish fire. 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. Remove contaminated clothing and wash before reuse. 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 process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels. Exposure Limits CAS# 56932-43-5: 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 minimize contact with skin. 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: Powder Color: red-brown 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: C19H11N3Na2O7S2 Molecular Weight: 503.41 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, dust generation, excess heat, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, sodium oxide, sulfur oxides (SOx), including sulfur oxide and sulfur dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 56932-43-5 unlisted. LD50/LC50: Not available. Carcinogenicity: 8-Hydroxy-7-(6-Sulfo-2-Naphthylazo)-5-Quinolinesulfonic Acid - Not listed by ACGIH, IARC, or NTP. 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: Not regulated. Hazard Class: UN Number: Packing Group: IMO Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: RID/ADR Shipping Name: Not regulated. Hazard Class: UN Number: Packing group: Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 56932-43-5: No information available. Canada CAS# 56932-43-5 is listed on Canada's DSL List. CAS# 56932-43-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 56932-43-5 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统，若无政府许可，勿将材料排入周围环境。

安全

• 安全声明 (欧洲): S24/25