中文名 | 白屈菜赤碱 |
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英文名 | 1,2-Dimethoxy-12-methyl-[1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridin-12-ium chloride |
中文别名 | 盐酸白屈菜红碱 |
英文别名 |
[1,3]Benzodioxolo[5,6-c]phenanthridinium, 1,2-dimethoxy-12-methyl-, chloride (1:1)
MFCD00060717 1,2-Dimethoxy-12-methyl[1,3]dioxolo[4,5]benzo[1,2-c]phenanthridin-12-iumchlorid 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridiniumchloride 1,2-Dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium chloride 1,2-Dimethoxy-N-methyl(1,3)benzodioxolo(5,6-c)phenanthridinium chloride 1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium,chloride Chelerythrine chloride EINECS 223-444-9 |
描述 | Chelerythrine Chloride 是一种有效,可渗透细胞的蛋白酶 C (protein kinase C) 抑制剂,能够抑制 PKC 活性,IC50 值为 660 nM。 |
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相关类别 | |
靶点 |
PKC:660 nM (IC50) PKA:0.17 mM (IC50) TPK:0.1 mM (IC50) |
体外研究 | 白屈菜红碱抑制BclXL-Bak BH3肽结合,IC50为1.5μM,并取代BclXL中含有BH3的蛋白质Bax。用白屈菜红碱处理的哺乳动物细胞经历细胞凋亡,其特征在于线粒体途径的参与[1]。白屈菜红碱处理通过选择性抑制p38丝裂原活化蛋白激酶(MAPK)和细胞外信号调节蛋白激酶1和2(ERK1/2)激活,抑制LPS诱导的小鼠腹腔巨噬细胞中LPS诱导的TNF-α水平和NO产生。此外,白屈菜红碱对NO和细胞因子TNF-α产生的影响可能可以通过p38 MAPK和ERK1/2在调节炎症介质表达中的作用来解释[2]。白屈菜红碱对人单核细胞白血病细胞具有细胞毒作用,LD50值为3.46μM。 LPS刺激后2小时,受血根碱和白屈菜红碱影响的细胞使CCL-2表达显着下降3.5和1.9 [3]。白屈菜红碱以剂量依赖性方式显着增强ERK1/2的磷酸化。此外,白屈菜红碱抑制p38的磷酸化[4]。 |
体内研究 | 白屈菜红碱通过抑制LPS诱导的肿瘤坏死因子-α(TNF-α)水平和血清中一氧化氮(NO)的产生,在体内实验诱导的小鼠内毒素休克模型中显示出显着的抗炎作用[2]。白屈菜红碱氯化物(5mg/kg /天,ip)诱导RCC细胞凋亡而对小鼠没有显着毒性。白屈菜红碱治疗导致p53的剂量依赖性积累[4]。 |
细胞实验 | 通过MTT测定评估细胞活力。将100μL培养基中的细胞(2×103 HEK-293细胞/孔和3×103 SW-839细胞/孔)接种到96孔板中,并孵育12小时。接下来,用含有各种浓度的白屈菜红碱的培养基替换每个孔中的培养基,并将细胞在37℃下再培养24和48小时。随后,向每个孔中加入20μLMTT(5mg / mL)。在37℃下另外温育4小时后,除去上清液,并向每个孔中加入100μLDMSO。使用iMark™微孔板吸光度读数器测定吸光度值(在540nm处读数)。使用Microplate Manager软件(版本6.3; 1689520)分析数据。 |
动物实验 | 将总共5×106个SW-839细胞与Matrigel®混合,并皮下注射到14只5周龄雄性BALB / c裸鼠的侧腹中。将小鼠保持在18×30-cm笼中,每笼3只小鼠,温度为22℃,使用12小时光照/黑暗循环。食物和水随意提供。小鼠随机分为两组(n = 7)。如前所述,通过腹膜内注射给小鼠施用剂量为5mg / kg /天的白屈菜红碱氯化物5周,在注射SW-839细胞后第一次注射白屈菜红碱24小时。对照小鼠施用相同体积的含有1%DMSO的PBS。每周测量一次小鼠肿瘤的体积和重量。在切除肿瘤后,在接种癌细胞后36天处死所有小鼠。 |
参考文献 |
密度 | 1.36g/cm3 |
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沸点 | 711.4ºC at 760 mmHg |
熔点 | 195-205ºC |
分子式 | C21H18ClNO4 |
分子量 | 383.825 |
闪点 | 219.3ºC |
精确质量 | 383.092438 |
PSA | 40.80000 |
LogP | 0.72060 |
外观性状 | 黄色至橙色固体 |
折射率 | 1.681 |
储存条件 | 常温,避光,通风干燥处,密封保存 |
稳定性 | 常温常压下稳定,黄色至橘黄色粉末 ,溶于二甲亚砜,>10mg/mL |
水溶解性 | DMSO: ≥10 mg/mL |
计算化学 | 1.疏水参数计算参考值(XlogP):无 2.氢键供体数量:0 3.氢键受体数量:5 4.可旋转化学键数量:2 5.互变异构体数量:无 6.拓扑分子极性表面积40.8 7.重原子数量:27 8.表面电荷:0 9.复杂度:516 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:0 15.共价键单元数量:2 |
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 20/21/22 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed. Potential Health Effects Eye: May cause eye irritation. Skin: Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. The toxicological properties of this substance have not been fully investigated. Inhalation: May be fatal if inhaled. Harmful if inhaled. The toxicological properties of this substance have not been fully investigated. Chronic: Not available. 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. Ingestion: Get medical aid. Wash mouth out with 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. 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. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a tightly closed container. Deep freeze (below -20C). Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 3895-92-9: Personal Protective Equipment Eyes: Not available. 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: Powder Color: yellow Odor: odorless pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 213-214 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Soluble. Specific Gravity/Density: Molecular Formula: C21H18NO4Cl Molecular Weight: 383.5833 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Not available. Incompatibilities with Other Materials: Not available. Hazardous Decomposition Products: Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 3895-92-9: FL9200000 LD50/LC50: Not available. Carcinogenicity: Chelerythrine chloride - 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 No information available. IMO No information available. RID/ADR No information available. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. Safety Phrases: S 36/37 Wear suitable protective clothing and gloves. WGK (Water Danger/Protection) CAS# 3895-92-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 3895-92-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 3895-92-9 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
生态学数据: 通常对水是不危害的,若无政府许可,勿将材料排入周围环境 CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
|
符号 |
GHS07 |
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信号词 | Warning |
危害声明 | H302-H312-H315-H319-H332-H335 |
警示性声明 | P261-P280-P305 + P351 + P338 |
危害码 (欧洲) | Xn |
风险声明 (欧洲) | R20/21/22 |
安全声明 (欧洲) | S36/37 |
危险品运输编码 | NONH for all modes of transport |
WGK德国 | 3 |
RTECS号 | FL9200000 |
海关编码 | 2933990090 |
上游产品 6 | |
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下游产品 4 | |
海关编码 | 2933990090 |
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中文概述 | 2933990090. 其他仅含氮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, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期 |
Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |