34807-41-5

• 常用中文名：密执毒素
• 常用英文名：2,4-Pentadienoic acid,5-phenyl-,(2S,3aR,3bS,3cS,4aR,5S,5aS,8aR,8bR,9R,10R,10aS)-3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-6-oxo-2-phen
• CAS号：34807-41-5
• 分子式：C₃₈H₃₈O₁₀
• 分子量：654.70200
• 相关类别： 信号通路 表观遗传学 PKC
• 发布时间：2018-06-19 20:42:06
• 更新时间：2024-01-09 02:29:02
• Mezerein是一种PKC激活剂,具有抗白血病特性。Mezerein抑制表达PKCα(IC50=1190 nM)、PKCβ1(IC50=908 nM)和PKCδ(IC50=141 nM)的酵母的生长,但不抑制表达PKC的酵母的生长[1][2]。

名称

• 中文名: 密执毒素
• 英文名: mezerein
• 英文别名: meserein; 12BETA-[(E,E)-5-PHENYL-2,4-PENTADIENOYLOXY]DAPHNETOXIN; MFCD00135953

物化性质

• 密度: 1.43 g/cm3
• 熔点: 258-262ºC
• 分子式: C₃₈H₃₈O₁₀
• 分子量: 654.70200
• 精确质量: 654.24600
• PSA: 144.28000
• LogP: 3.12420
• 外观性状: 白色固体
• 折射率: 1.68
• 储存条件:

  密封、在 -20ºC下保存

• 稳定性: 稳定

  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）：3.8

  2、 氢键供体数量：3

  3、 氢键受体数量：10

  4、 可旋转化学键数量：8

  5、 互变异构体数量：3

  6、 拓扑分子极性表面积（TPSA）：144

  7、 重原子数量：48

  8、 表面电荷：0

  9、 复杂度：1470

  10、同位素原子数量：0

  11、确定原子立构中心数量：8

  12、不确定原子立构中心数量：4

  13、确定化学键立构中心数量：2

  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：无色

  2. 密度（g/mL,20℃）：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,KPa）：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（Pa,20ºC）：未确定

  12. 饱和蒸气压（KPa,20ºC）：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: Mezerein是一种PKC激活剂,具有抗白血病特性。Mezerein抑制表达PKCα(IC50=1190 nM)、PKCβ1(IC50=908 nM)和PKCδ(IC50=141 nM)的酵母的生长,但不抑制表达PKC的酵母的生长[1][2]。
• 相关类别:
  信号通路 >> 表观遗传学 >> PKC
  研究领域 >> 癌症
  信号通路 >> TGF-beta/Smad 信号通路 >> PKC
• 体外研究: 梅泽林是从瑞香中分离出来的一种抗白血病成分[2]。Mezerein(50 ng/mL；72小时)能有效抑制致瘤小鼠巨噬细胞系M5076细胞增殖[3]。细胞增殖试验[3]细胞系：M5076细胞浓度：50ng/mL培养时间：72小时结果：抑制细胞增殖(大于90%)。
• 体内研究: Mezerein对小鼠P-388淋巴细胞白血病具有抗白血病活性。Mezerein(50μg/kg)对小鼠的P-388和L-1210白血病具有显著的抑制活性[2]。
• 参考文献:

  [1]. L Saraiva, et al. Differential activation by daphnetoxin and mezerein of PKC-isotypes alpha, beta I, delta and zeta. Planta Med. 2001 Dec;67(9):787-90.

  [2]. S M Kupchan,et al.Mezerein: antileukemic principle isolated from Daphne mezereum L. Science. 1975 Feb 21;187(4177):652-3.

  [3]. N T Goode, et al. Protein kinase C-induced stimulation or inhibition of cellular proliferation in a murine macrophage tumor cell line. Cancer Res. 1990 Mar 15;50(6):1828-33.

MSDS

SECTION 1: Identification of the substance/mixture and of the company/undertaking Product identifiers Product name: Mezerein REACH No.: A registration number is not available for this substance as the substance or its uses are exempted from registration, the annual tonnage does not require a registration or the registration is envisaged for a later registration deadline. CAS-No.: 34807-41-5 Relevant identified uses of the substance or mixture and uses advised against Identified uses: Laboratory chemicals, Manufacture of substances SECTION 2: Hazards identification Classification of the substance or mixture Classification according to Regulation (EC) No 1272/2008 Skin irritation (Category 2), H315 Skin sensitisation (Category 1), H317 For the full text of the H-Statements mentioned in this Section, see Section 16. Classification according to EU Directives 67/548/EEC or 1999/45/EC Xi IrritantR38 For the full text of the R-phrases mentioned in this Section, see Section 16. Label elements Labelling according Regulation (EC) No 1272/2008 Pictogram Signal wordWarning Hazard statement(s) H315Causes skin irritation. H317May cause an allergic skin reaction. Precautionary statement(s) P280Wear protective gloves. Supplemental Hazardnone Statements Other hazards - none SECTION 3: Composition/information on ingredients Substances : 12β-[(E,E)-5-Phenyl-2,4-pentadienoyloxy]daphnetoxin Synonyms Formula: C38H38O10 Molecular Weight: 654,7 g/mol CAS-No.: 34807-41-5 Hazardous ingredients according to Regulation (EC) No 1272/2008 ComponentClassificationConcentration Mezerein Skin Irrit. 2; Skin Sens. 1;- H315, H317 Hazardous ingredients according to Directive 1999/45/EC ComponentClassificationConcentration Mezerein Xi, R38- For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16 SECTION 4: First aid measures Description of first aid measures General advice Consult a physician. Show this safety data sheet to the doctor in attendance. If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Wash off with soap and plenty of water. Consult a physician. In case of eye contact Flush eyes with water as a precaution. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician. Most important symptoms and effects, both acute and delayed The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in section 11 Indication of any immediate medical attention and special treatment needed no data available SECTION 5: Firefighting measures Extinguishing media Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Special hazards arising from the substance or mixture Carbon oxides Advice for firefighters Wear self contained breathing apparatus for fire fighting if necessary. Further information no data available SECTION 6: Accidental release measures Personal precautions, protective equipment and emergency procedures Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Avoid breathing dust. For personal protection see section 8. Environmental precautions Do not let product enter drains. Methods and materials for containment and cleaning up Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed containers for disposal. Reference to other sections For disposal see section 13. SECTION 7: Handling and storage Precautions for safe handling Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire protection. For precautions see section 2.2. Conditions for safe storage, including any incompatibilities Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Recommended storage temperature: -20 °C Specific end use(s) A part from the uses mentioned in section 1.2 no other specific uses are stipulated SECTION 8: Exposure controls/personal protection Control parameters Components with workplace control parameters Exposure controls Appropriate engineering controls Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Personal protective equipment Eye/face protection Face shield and safety glasses Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Body Protection Complete suit protecting against chemicals, The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Respiratory protection For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). Control of environmental exposure Do not let product enter drains. SECTION 9: Physical and chemical properties Information on basic physical and chemical properties a) AppearanceForm: solid Colour: colourless b) Odourno data available c) Odour Thresholdno data available d) pHno data available e) Melting point/freezingno data available point f) Initial boiling point and no data available boiling range g) Flash pointno data available h) Evapouration rateno data available i) Flammability (solid, gas) no data available j) Upper/lowerno data available flammability or explosive limits k) Vapour pressureno data available l) Vapour densityno data available m) Relative densityno data available n) Water solubilityno data available o) Partition coefficient: n- no data available octanol/water p) Auto-ignitionno data available temperature q) Decompositionno data available temperature r) Viscosityno data available s) Explosive propertiesno data available t) Oxidizing propertiesno data available Other safety information no data available SECTION 10: Stability and reactivity Reactivity no data available Chemical stability Stable under recommended storage conditions. Possibility of hazardous reactions no data available Conditions to avoid no data available Incompatible materials Strong bases, Hypochlorites Hazardous decomposition products Other decomposition products - no data available In the event of fire: see section 5 SECTION 11: Toxicological information Information on toxicological effects Acute toxicity no data available Skin corrosion/irritation no data available Serious eye damage/eye irritation no data available Respiratory or skin sensitisation Germ cell mutagenicity no data available Carcinogenicity IARC:No component of this product present at levels greater than or equal to 0.1% is identified as probable, possible or confirmed human carcinogen by IARC. Reproductive toxicity no data available Specific target organ toxicity - single exposure no data available Specific target organ toxicity - repeated exposure no data available Aspiration hazard no data available Additional Information RTECS: HB5425500 SECTION 12: Ecological information Toxicity no data available Persistence and degradability no data available Bioaccumulative potential no data available Mobility in soil no data available Results of PBT and vPvB assessment PBT/vPvB assessment not available as chemical safety assessment not required/not conducted Other adverse effects no data available SECTION 13: Disposal considerations Waste treatment methods Product Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional waste disposal service to dispose of this material. Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. Contaminated packaging Dispose of as unused product. SECTION 14: Transport information UN number ADR/RID: -IMDG: -IATA: - UN proper shipping name ADR/RID: Not dangerous goods IMDG: Not dangerous goods IATA:Not dangerous goods Transport hazard class(es) ADR/RID: -IMDG: -IATA: - Packaging group ADR/RID: -IMDG: -IATA: - Environmental hazards ADR/RID: noIMDG Marine pollutant: noIATA: no Special precautions for user no data available SECTION 15: Regulatory information This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006. Safety, health and environmental regulations/legislation specific for the substance or mixture no data available Chemical Safety Assessment For this product a chemical safety assessment was not carried out SECTION 16: Other information Full text of H-Statements referred to under sections 2 and 3. H315Causes skin irritation. H317May cause an allergic skin reaction. Skin Irrit.Skin irritation Skin Sens.Skin sensitisation Full text of R-phrases referred to under sections 2 and 3 Xi Irritant R38 Irritating to skin. Further information Copyright 2013 Co. LLC. License granted to make unlimited paper copies for internal use only. The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. Corporation and its Affiliates shall not be held liable for any damage resulting from handling or from contact with the above product. See and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

毒性和生态

毒理学数据: 1、 致肿瘤性：小鼠皮肤TDLo：3560μg/kg/20W-I 小鼠皮肤TD：18mg/kg/20W-I 2、 致突变性：酵母菌基因变换和有丝分裂重组实验：20mg/L 小鼠纤维原细胞形态学变化实验：100μg/L 小鼠细胞形态学变化实验：16nmol/L 小鼠细胞DNA损害实验：100nmol/L 小鼠皮肤非程序性DNA合成实验：340nmol/kg 小鼠皮肤DNA抑制实验：340nmol/kg CHEMICAL IDENTIFICATION RTECS NUMBER : HB5425500 CHEMICAL NAME : Daphnetoxin, 12-((1-oxo-5-phenyl-2,4-pentadienyl)oxy)-, (12-beta(E,E))- CAS REGISTRY NUMBER : 34807-41-5 LAST UPDATED : 199612 DATA ITEMS CITED : 9 MOLECULAR FORMULA : C38-H38-O10 MOLECULAR WEIGHT : 654.76 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 3560 ug/kg/20W-I TOXIC EFFECTS : Tumorigenic - neoplastic by RTECS criteria Skin and Appendages - primary irritation (after topical exposure) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other Enzymes TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 18 mg/kg/20W-I TOXIC EFFECTS : Tumorigenic - neoplastic by RTECS criteria Skin and Appendages - primary irritation (after topical exposure) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other Enzymes TYPE OF TEST : Unscheduled DNA synthesis MUTATION DATA TEST SYSTEM : Rodent - mouse DOSE/DURATION : 340 nmol/kg REFERENCE : CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 43,4126,1983 *** REVIEWS *** TOXICOLOGY REVIEW BLFSBY Basic Life Sciences. (Plenum Pub. Corp., 223 Spring St., New York, NY 10003) V.1- 1973- Volume(issue)/page/year: 24,253,1983

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H315-H317
• 警示性声明: P280
• 个人防护装备: dust mask type N95 (US);Eyeshields;Faceshields;Gloves
• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S22;S24/25
• 危险品运输编码: UN 2811
• RTECS号: HB5425500
• 包装等级: III
• 危险类别: 6.1(b)