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3895-92-9生产厂家

3895-92-9价格

3895-92-9

3895-92-9结构式
3895-92-9结构式

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中文名 白屈菜赤碱
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。
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

[1]. Chan, et al. Identification of chelerythrine as an inhibitor of BclXL function. J Biol Chem. 2003 Jun 6;278(23):20453-6.

[2]. Li W, et al. Effect of Chelerythrine Against Endotoxic Shock in Mice and Its Modulation of Inflammatory Mediators in Peritoneal Macrophages Through the Modulation of Mitogen-Activated Protein Kinase (MAPK) Pathway. Inflammation. 2012 Jul 24.

[3]. Pencikova K, et al. Investigation of sanguinarine and chelerythrine effects on LPS-induced inflammatory gene expression in THP-1 cell line. Phytomedicine. 2012 Jul 15;19(10):890-5. Epub 2012 May 14.

[4]. Chen XM, et al. Chelerythrine chloride induces apoptosis in renal cancer HEK-293 and SW-839 cell lines. Oncol Lett. 2016 Jun;11(6):3917-3924

[5]. Herbert JM, et al. Chelerythrine is a potent and specific inhibitor of protein kinase C. Biochem Biophys Res Commun. 1990 Nov 15;172(3):993-9.

密度 1.36g/cm3
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

Name: Chelerythrine chloride Material Safety Data Sheet
Synonym:
CAS: 3895-92-9
Section 1 - Chemical Product MSDS Name:Chelerythrine chloride Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
3895-92-9 Chelerythrine chloride 223-444-9
Hazard Symbols: XN
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

RTECS NUMBER :
FL9200000
CHEMICAL NAME :
Chelerythrine, chloride
CAS REGISTRY NUMBER :
3895-92-9
LAST UPDATED :
198605
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C21-H18-N-O4.Cl

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
95 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PLMEAA Planta Medica. (Georg Thieme Verlag, Postfach 732, D-7000 Stuttgart 1, Fed. Rep. Ger.) V.1- 1953- Volume(issue)/page/year: 43,161,1981
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
18500 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PLMEAA Planta Medica. (Georg Thieme Verlag, Postfach 732, D-7000 Stuttgart 1, Fed. Rep. Ger.) V.1- 1953- Volume(issue)/page/year: 43,161,1981

符号 GHS07
GHS07
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
海关编码 2933990090
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%