槲皮素二水合物 - CAS号 6151-25-3

物化性质

熔点：

>300 °C(lit.)
密度：

1.680 g/cm3
溶解度：

溶于 DMSO > 10 mM
LogP：

2.075 (est)
稳定性/保质期：

如果按照规格使用和储存，则不会分解，未有已知危险发生。应避免与强氧化剂和强碱接触。

计算性质

辛醇/水分配系数(LogP)：

1.16
重原子数：

23
可旋转键数：

1
环数：

3.0
sp3杂化的碳原子比例：

0.0
拓扑面积：

128
氢给体数：

6
氢受体数：

8

安全信息

TSCA：

Yes
危险等级：

6.1
危险品标志：

T
安全说明：

S45
危险类别码：

R25
WGK Germany：

1,3
海关编码：

2918290000
危险品运输编号：

UN 2811
RTECS号：

LK8950000
包装等级：

III
危险类别：

6.1
危险性防范说明：

P264,P270,P301+P310+P330,P405,P501
危险性描述：

H301

SDS

SDS：e338d9e1f8ed69e1e4ce9260b3aba4f2

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Name:	Quercetin dihydrate 99% Material Safety Data Sheet
Synonym:	4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, dihydrate; Flavone, 3,3',4',5,7-pentahydroxy-, dihydrate
CAS:	6151-25-3

Section 1 - Chemical Product MSDS Name:Quercetin dihydrate 99% Material Safety Data Sheet
Synonym:4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, dihydrate; Flavone, 3,3',4',5,7-pentahydroxy-, dihydrate

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
6151-25-3	Quercetin dihydrate	99	unlisted

Hazard Symbols: T
Risk Phrases: 25

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Toxic if swallowed.Toxic.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
The toxicological properties of this substance have not been fully investigated. May cause irritation of the mucous membranes. May cause irritation of the upper respiratory tract and bronchi.
Chronic:
Substance may have carcinogenic potential. May alter genetic material.

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 immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid immediately. 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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Wash area with soap and water. Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Use only in a chemical fume hood. Do not breathe dust or fumes.
Storage:
Keep containers tightly closed. Store in a cool, dry 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 adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 6151-25-3: 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: yellow
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: > 300 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: 95.0 - 97.0 de
Solubility in water: practically insoluble
Specific Gravity/Density: Not available.
Molecular Formula: C15H10O7.2H2O
Molecular Weight: 338.26

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 6151-25-3: LK8950000 LD50/LC50:
CAS# 6151-25-3: Oral, mouse: LD50 = 159 mg/kg.
Carcinogenicity:
Quercetin dihydrate - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
Other No information available.

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: T
Risk Phrases:
R 25 Toxic if swallowed.
Safety Phrases:
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 6151-25-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 6151-25-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 6151-25-3 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

理化性质

无水物分子式为C₁₅H₁₀O₇，分子量302.25，熔点（mp）为316℃。二水合物分子式为C₁₅H₉O₇·₂H₂O，呈黄色针状结晶（在稀乙醇中），熔点范围为313℃～314℃（分解）。它溶于热乙醇（1:23）、冷乙醇（1:300），可溶于甲醇、醋酸乙酯、冰醋酸和吡啶等，不溶于石油醚、苯、乙醚或氯仿中，并几乎不溶于水。

祛痰药

槲皮素是我国中医临床上常用的一种祛痰药物。它具有较好的祛痰与止咳作用，并有一定的平喘效果，还能降低血压、提高毛细血管抵抗力、减少毛细血管脆性、降血脂、扩张冠状动脉以及增加冠状动脉血流量等药理功能。

临床应用中，槲皮素主要用于治疗支气管炎及多痰炎症。对于冠心病和高血压患者也有辅助治疗作用。使用本品可能会出现口干、头晕或胃部烧灼感等症状，但停药后会消失。

槲皮素广泛存在于被子植物中，如红管药、猫眼草、铁包金、满山红、小叶枇杷、紫花杜鹃、照山白和矮地茶等。此物是一种甙元，通常与糖结合以甙的形式存在，例如槲皮苷、芦丁和金丝桃苷。

药理作用

槲皮素能显著抑制促癌剂的作用，并能够抑制离体恶性细胞的生长及艾氏腹水癌（EAC）瘤细胞的增殖。它还能抑制磷脂酶A₂（PLA₂）和磷酸肌醇3-激酶（PI 3-kinase），阻断该激酶的ATP结合位点，从而中断这种酶在传递生长因子信号中的作用。

槲皮素能通过竞争性抑制核苷酸依赖性激酶，如Src同源基因60蛋白酪氨酸激酶（pp60src）、钙和磷脂依赖性蛋白激酶、环鸟苷单磷酸磷酸二酯酶。此外，它还能通过阻断磷脂酰肌醇4-激酶（PI 4-kinase）和磷脂酰肌醇4-磷酸5-激酶（PI-4-phosphate 5-kinase），影响信号传导途径并降低细胞内第二信使IP₃的水平。

在培养的乳腺癌细胞中，槲皮素通过抑制PI 4-激酶和PI-4-磷酸5-激酶、减少IP₃水平以及阻断致癌性生长信号诱导细胞凋亡。潜在地可作为脂肪酸合成酶、PKC（蛋白激酶C）及线粒体ATP酶的抑制剂，同时激活SIRT1（沉默信息调节因子1），这种去乙酰化酶能脱乙酰化组蛋白。

Quercetin Dihydrate是槲皮素的一种二水合物形式，是一种广泛存在于天然界的黄酮类化合物，具有抗增殖作用。它被认为通过阻断磷脂酶A₂和PI 3-激酶（IC₅₀ = 3.8微摩尔）的活性来抑制这一激酶的功能，并中断该酶在传递细胞生长因子信号中的角色。槲皮素还能够通过与ATP和GTP竞争，从而抑制核苷酸依赖性激酶酶，显示出对pp60src磷蛋白磷酸转移酶、钙-或磷脂依赖性蛋白激酶及环鸟苷单磷酸磷酸二酯酶的抑制作用。

Quercetin Dihydrate在肿瘤细胞系中的抗增殖和细胞毒性效应被认为是由于抑制PI 4-激酶和PI-4-磷酸5-激酶，减少IP₃水平以及阻断致癌性生长信号所致。此外，它还能诱导处于G₁和S期的肿瘤细胞凋亡。

潜在地可作为脂肪酸合成酶、PKC（蛋白激酶C）及线粒体ATP酶的抑制剂，并激活SIRT1，这种去乙酰化酶能脱乙酰化组蛋白。Quercetin Dihydrate还被认为是Pim-1的抑制剂和GPR30（G蛋白偶联受体30）的激动剂。

反应信息

作为反应物：

描述：

槲皮素二水合物、硫酸氧钒水合物在 NaOH 、 H₂SO₄ 作用下，以 H₂O 为溶剂，生成 [VO(OH)(quercetin(-1H))]*2H2O

参考文献：

名称：

黄酮衍生物作为潜在的胰岛素模拟剂的新型钒基配合物的热稳定性

摘要：

一系列新的VO（OH）L· n H 2 O类型的配合物（（1）L：非瑟汀，n = 3；（2）L：槲皮素，n = 2；（3）L：morin，n = 4）合成并通过分析，红外和电子数据进行表征。红外光谱中证明的修饰与所有复合物中黄酮类化合物的双齿黄酮的存在有关。电子反射光谱显示d – d钒（IV）离子的方形-金字塔形立体化学的跃迁特性。合成气流中的热分析（TG，DTA）阐明了组成以及水分子的数量和性质。TG曲线显示三个完全分开的热事件。第一个对应于较低温度下的失水，其后是类黄酮衍生物的分解和较高温度下的热解。最终产物是钒氧化物。

DOI：

10.1007/s10973-009-0387-7

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文献信息

AMYLASE INHIBITOR COMPOUNDS, METHODS OF THEIR USE AND COMPOSITIONS THEREOF

申请人：THE UNIVERSITY OF BRITISH COLUMBIA

公开号：US20200079810A1

公开（公告）日：2020-03-12

There are provided compounds of Formula I: various compositions thereof and methods for their use in the inhibition of α-amylase.

提供了式I的化合物：它们的各种组合以及在抑制α-淀粉酶方面使用它们的方法。
ANTIBACTERIAL AGENT

申请人：JUNTENDO EDUCATIONAL FOUNDATION

公开号：US20150322033A1

公开（公告）日：2015-11-12

An antibacterial agent comprising a compound represented by the following general formula (I), which can exhibit potent antibacterial activity against bacteria that have acquired resistance to quinolones (in the formula, R 1 and R 4 represents hydrogen atom, hydroxyl group, or a lower alkoxy group; R 2 and R 3 represents hydrogen atom or hydroxyl group; W represents hydrogen atom, a lower cyclic alkyl group, or a lower alkoxy group; R 1′ and R 5′ represents hydrogen atom; R 2′ and R 3′ represents hydrogen atom, hydroxyl group, or a lower alkoxy group; and R 4′ represents hydrogen atom or hydroxyl group).

一种抗菌剂，包括以下一般式（I）所代表的化合物，该化合物可以对已经对喹诺酮产生抗药性的细菌表现出强效的抗菌活性（在该式中，R1和R4代表氢原子、羟基或较低的烷氧基；R2和R3代表氢原子或羟基；W代表氢原子、较低的环烷基或较低的烷氧基；R1'和R5'代表氢原子；R2'和R3'代表氢原子、羟基或较低的烷氧基；R4'代表氢原子或羟基）。
PHOSPHORYLATED AND PHOSPHONATED PYRONE ANALOGS FOR THERAPEUTIC TREATMENT

申请人：Lee May Dean-Ming

公开号：US20100297020A1

公开（公告）日：2010-11-25

Methods are described for the treatment and prevention of metabolic disorders or other diseases by administering a pyrone analog or a derivative thereof. Methods are also described for the treatment and prevention of metabolic disorders and other diseases by administering a pyrone analog, or a derivative thereof, in combination with one or more additional agents such as, for example, lipid lowering agents or glucose lowering agents. Methods are described for the modulation of lipid transporter activity to increase the efflux of lipid from a physiological compartment into an external environment. Methods disclosed herein may be used to assess treatment or prevention of a metabolic disorder following administration of a pyrone analog or a derivative thereof.

本文描述了通过给予吡喃类似物或其衍生物的方法来治疗和预防代谢性疾病或其他疾病。还描述了通过给予吡喃类似物或其衍生物与一个或多个额外的药物如降脂药或降糖药组合的方法来治疗和预防代谢性疾病和其他疾病。本文还描述了调节脂质转运蛋白活性以增加生理区域中脂质向外部环境的外流的方法。本文所披露的方法可用于评估在给予吡喃类似物或其衍生物后治疗或预防代谢性疾病的效果。
DNA binding and cleavage activity of quercetin nickel(ii) complex

作者：Jun Tan、Liancai Zhu、Bochu Wang

DOI：10.1039/b901353a

日期：——

The interaction of a quercetin nickel(II) complex with DNA was investigated using UV-vis spectra, fluorescence measurements, viscosity measurements, agarose gel electrophoresis and thiobarbituric acid-reactive substances assay. The results indicate that the quercetin nickel(II) complex can intercalate into the stacked base pairs of DNA, and compete with the strong intercalator ethidium bromide for the intercalative binding sites with Stern–Volmer quenching constant Ksq = 1.0. The complex successfully promotes the cleavage of plasmid DNA, producing single and double DNA strand breaks. The amount of conversion of supercoiled form (SC) of plasmid DNA to the nicked circular form (NC) depends on the concentration of the complex, ionic strength and the duration of incubation of the complex with DNA. The maximum rate of conversion of the supercoiled form to the nicked circular form at pH 7.2 in the presence of 100 μM of the complex is found to be 0.76 × 10−4 s−1. The hydrolytic cleavage of DNA by the complex was supported by the evidence from free radical quenching and thiobarbituric acid-reactive substances assay.

利用紫外可见光谱、荧光测量、粘度测量、琼脂糖凝胶电泳和硫代巴比妥酸反应物质测定法研究了槲皮素镍(II)复合物与 DNA 的相互作用。结果表明，槲皮素镍(II)复合物可以插层到 DNA 的叠层碱基对中，并与强插层剂溴化乙锭竞争插层结合位点，其斯特恩-沃尔默淬灭常数 Ksq = 1.0。该复合物能成功促进质粒 DNA 的裂解，产生单链和双链 DNA 断裂。质粒 DNA 的超卷曲形式（SC）向切口环状形式（NC）的转化量取决于复合物的浓度、离子强度以及复合物与 DNA 培养的持续时间。在 pH 值为 7.2、复合物浓度为 100 μM 的条件下，超卷曲形式向切口环状形式转化的最大速率为 0.76 × 10-4 s-1。自由基淬灭和硫代巴比妥酸反应物质测定的证据支持了该复合物对 DNA 的水解作用。
Integrative fungal solutions for protecting bees and overcoming colony collapse disorder (CCD)

申请人：Stamets Paul Edward

公开号：US10813960B2

公开（公告）日：2020-10-27

The present invention is based on a plurality of benefits from the extracts of mycelia of individual fungal species, and mixtures of species, to provide an armamentarium of defenses from multiple stressors in order to help bees survive a complex of symptoms collectively called colony collapse disorder (CCD). More particularly, the present invention utilizes specific concentrations of extracts from pure cultured mycelium from mushroom forming fungi to reduce harmful viruses in bees and to increase the longevity of bees.

本发明基于从单个真菌物种的菌丝体和物种混合物的提取物中获得的多种益处，提供了防御多种压力的武器，以帮助蜜蜂在被统称为蜂群崩溃紊乱症（CCD）的一系列症状中存活下来。更具体地说，本发明利用纯培养的蘑菇真菌菌丝体中特定浓度的提取物来减少蜜蜂体内的有害病毒，并延长蜜蜂的寿命。

槲皮素二水合物 | 6151-25-3

物质功能分类

分子结构分类

物化性质

计算性质

安全信息

SDS

制备方法与用途

反应信息

文献信息

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