飞燕草素葡萄糖苷 - CAS号 6906-38-3

物化性质

溶解度：

溶于甲烷

计算性质

辛醇/水分配系数(LogP)：

-2.91
重原子数：

34
可旋转键数：

4
环数：

4.0
sp3杂化的碳原子比例：

0.29
拓扑面积：

202
氢给体数：

9
氢受体数：

12

安全信息

WGK Germany：

3

SDS

SDS：88be62bf95aa2cabf689b3e5ce01690e

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
: Delphinidin 3-O-β-D-glucoside chloride
Product name
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. : 6906-38-3
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
Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
This substance is not classified as dangerous according to Directive 67/548/EEC.
Label elements
The product does not need to be labelled in accordance with EC directives or respective national laws.
Other hazards - none

SECTION 3: Composition/information on ingredients
Substances
Formula : C21H21ClO12
Molecular Weight : 500,84 g/mol
CAS-No. : 6906-38-3
No components need to be disclosed according to the applicable regulations.

SECTION 4: First aid measures
Description of first aid measures
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration.
In case of skin contact
Wash off with soap and plenty of water.
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.
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, Hydrogen chloride gas
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
Avoid dust formation. Avoid breathing vapours, mist or gas.
For personal protection see section 8.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
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
Provide appropriate exhaust ventilation at places where dust is formed.
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
Store under inert gas. Moisture sensitive.
Specific end use(s)
Apart 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
General industrial hygiene practice.
Personal protective equipment
Eye/face protection
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
Choose body protection in relation to its type, to the concentration and amount of dangerous
substances, and to the specific work-place., The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
use type N95 (US) or type P1 (EN 143) dust masks. 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) Appearance Form: powder
Colour: black
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing no data available
point
f) Initial boiling point and no data available
boiling range
g) Flash point not applicable
h) Evapouration rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no 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 oxidizing agents
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
LD50 Intraperitoneal - rat - 1.850 mg/kg
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitisation
no data available
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: Not available
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

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.
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: no IMDG Marine pollutant: no IATA: 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
Further information
Copyright 2014 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.

反应信息

作为反应物：

描述：

飞燕草素葡萄糖苷、 S-腺苷基-L-蛋氨碘盐在 rat liver cytosol protein fraction 作用下，以二甲基亚砜为溶剂，反应 0.5h，生成 4'-O-Methyldelphinidin 3-O-beta-D-glucoside

参考文献：

名称：

Enzymatic Hemisynthesis of Metabolites and Conjugates of Anthocyanins

摘要：

This work aims to study the phase II metabolization of anthocyanins that is likely to occur in vivo. Anthocyanins (delphinidin, cyanidin, and malvidin-3-glucosides) were incubated with phase II enzymes in the presence of activated cofactors in order to obtain glutathionyl conjugates, methylated and glucuronydated compounds. Overall, the three anthocyanins tested were metabolized in vitro. Two compounds were detected by HPLC after incubation of human liver cytosolic fraction with cyanidin-3-glucoside and one compound with delphinidin-3-glucoside. These compounds were identified as monomethylated products. LC-MS analysis yielded mass data that fit with the anthocyanin structures bearing an additional methyl group in ring B. Several compounds were detected by HPLC after incubation of human liver microsomes with malvidin, cyanidin, and delphinidin-3-glucosides. These compounds were identified as monoglucuron ides products after HPLC analysis. Conjugation with glutathione also occurred as proved by the mass data obtained. However, in this case, two anthocyanin equilibrium forms (flavylium and chalcone or water adducts) conjugated with glutathione were detected. Overall, the data of the present work shows the feasibility of the in vitro enzymatic hemisynthesis of metabolites and glutathione conjugates of anthocyanins. This first experimental approach may further allow the achievement of new purified forms of anthocyanins, some of which do not occur in nature, and also the determination of whether these compounds are the bioactive forms responsible for some of the biological activities reported for anthocyanins.

DOI：

10.1021/jf802844p
作为产物：

描述：

在甲醇、 sodium hydroxide 、水、盐酸作用下，生成飞燕草素葡萄糖苷

参考文献：

名称：

WO2006/134352

摘要：

公开号：

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文献信息

[EN] CONSTRUCTS AND METHODS FOR BIOSYNTHESIS OF GALANTHAMINE<br/>[FR] CONSTRUCTIONS ET PROCÉDÉS POUR LA BIOSYNTHÈSE DE LA GALANTHAMINE

申请人：DONALD DANFORTH PLANT SCI CT

公开号：WO2015196100A1

公开（公告）日：2015-12-23

The present disclosure relates generally to the identification of enzymes within the Amaryllidaceae alkaloid biosynthetic pathway as well as to engineering transgenic organisms for the production of galanthamine and/or hemanthamine and/or lycorine. Disclosed herein is the isolation and characterization of cDNAs and encoded norbelladine 4'-0-methyltransferase, CYP96T1-3, and norbelladine synthase/reductase involved in the biosynthesis of galanthamine and haemanthamine. The invention relates to a transgenic plant, comprising within its genome, and expressing, a heterologous nucleotide sequence coding for a class I O-methyltransferase, wherein the O-methyltransferase is norbelladine 4'-0-methyltransferase. In one embodiment, the norbelladine 4'-0-methyltransferase is selected from among NpN40MT1, NpN40MT2, NpN40MT3, NpN40MT4, and NpN40MT5. The invention further contemplates a method of making a transgenic plant.

本公开涉及总体上识别阿马里利达斯碱生物合成途径中的酶，以及为生产迎春碱和/或血红碱和/或石蒜碱而工程化转基因生物。本公开揭示了所述cDNA的分离和表征，以及编码的norbelladine 4'-0-甲基转移酶、CYP96T1-3和norbelladine合成酶/还原酶，这些酶参与了迎春碱和血红碱的生物合成。该发明涉及一种转基因植物，其基因组中包含并表达了编码I类O-甲基转移酶的异源核苷酸序列，其中O-甲基转移酶是norbelladine 4'-0-甲基转移酶。在一个实施例中，norbelladine 4'-0-甲基转移酶从NpN40MT1、NpN40MT2、NpN40MT3、NpN40MT4和NpN40MT5中选择。该发明进一步考虑了一种制备转基因植物的方法。
Encapsulated Vaccinium Extracts with Balanced Gastrointestinal Release

申请人：Siegel Sven

公开号：US20090041872A1

公开（公告）日：2009-02-12

The invention relates to Vaccinium fruit extracts, related preparations, production methods and uses.

本发明涉及蓝莓属水果提取物、相关制剂、生产方法及其用途。
Bioactive Depside and Anthocyanin Compounds, Compositions, and Methods of Use

申请人：D'Armiento Jeanine

公开号：US20110110885A1

公开（公告）日：2011-05-12

Methods for modulating the level of a chemokine in a cell by administering to a cell an effective amount of a depside or an anthocyanin are provided. More particularly, a method for modulating the level of a chemokine in a cell by administering to a cell an effective amount of a depside having the structure of formula (IV): Formula (IV) wherein R is selected from H or CH 3 or an anthocyanin selected from cyanidin 3-glucoside, delphinidin 3-glucoside, or combinations thereof, or an enantiomer, optical isomer, diastereomer, N-oxide, crystalline form, hydrate, or pharmaceutically acceptable salt thereof is provided. Also provided are compounds according to Formulas I-IV, pharmaceutical compositions, unit dosage forms, and food or feed supplements containing such compounds. Methods for treating a condition in a mammal and for treating or ameliorating a condition, such as for example, chronic obstructive pulmonary disease (COPD) by administering an effective amount of a composition containing such compounds are also provided. Further provided is an extract obtained from the fruit of Myrciaria cauliflora containing at least one compound of the present invention in substantially pure form.

本文提供了通过向细胞注射有效量的脲苷或花青素来调节化学趋化因子水平的方法。更具体地，本文提供了一种通过向细胞注射具有公式（IV）结构的脲苷的有效量来调节化学趋化因子水平的方法：公式（IV）其中R选自H或CH3，或选择青藤花苷、海棠花苷3-葡萄糖苷或其组合的花青素，或其对映体、光学异构体、对映异构体、N-氧化物、结晶形式、水合物或药学上可接受的盐。还提供了根据公式I-IV的化合物、制药组合物、单位剂量形式以及含有这些化合物的食品或饲料补充剂。本文还提供了通过注射含有这些化合物的组合物的有效量来治疗哺乳动物的疾病和治疗或缓解疾病的方法，例如慢性阻塞性肺疾病（COPD）。此外，本文还提供了从Myrciaria cauliflora果实中提取得到的至少一种本发明化合物的纯度高的提取物。
BIOACTIVE DEPSIDE AND ANTHOCYANIN COMPOUNDS, COMPOSITIONS, AND METHODS OF USE

申请人：D'Armiento Jeanine

公开号：US20150011629A1

公开（公告）日：2015-01-08

Methods for modulating the level of a chemokine in a cell by administering to a cell an effective amount of a depside or an anthocyanin are provided. More particularly, a method for modulating the level of a chemokine in a cell by administering to a cell an effective amount of a depside having the structure of formula (IV): Formula (IV) wherein R is selected from H or CH 3 or an anthocyanin selected from cyanidin 3-glucoside, delphinidin 3-glucoside, or combinations thereof, or an enantiomer, optical isomer, diastereomer, N-oxide, crystalline form, hydrate, or pharmaceutically acceptable salt thereof is provided. Also provided are compounds according to Formulas I-IV, pharmaceutical compositions, unit dosage forms, and food or feed supplements containing such compounds. Methods for treating a condition in a mammal and for treating or ameliorating a condition, such as for example, chronic obstructive pulmonary disease (COPD) by administering an effective amount of a composition containing such compounds are also provided. Further provided is an extract obtained from the fruit of Myrciaria cauliflora containing at least one compound of the present invention in substantially pure form.

本发明提供了通过向细胞中添加有效量的脲苷或花青素来调节化学趋化因子水平的方法。更具体地，本发明提供了一种通过向细胞中添加具有公式（IV）结构的有效量的脲苷来调节化学趋化因子水平的方法：公式（IV）其中R选自H或CH3，或选自花青苷3-葡萄糖苷、洋紫菜苷3-葡萄糖苷或两者的组合物、对映体、光学异构体、对映异构体、N-氧化物、结晶形式、水合物或其药学上可接受的盐。本发明还提供了根据公式I-IV的化合物、制药组合物、单位剂量形式以及含有这些化合物的食品或饲料补充剂。本发明还提供了通过向哺乳动物中给予含有这些化合物的组合物的有效量来治疗疾病的方法，以及治疗或改善疾病（例如慢性阻塞性肺病（COPD））的方法。本发明还提供了从Myrciaria cauliflora的果实中提取的至少含有本发明中一种化合物的纯形式的提取物。
GENES CODING FOR PROTEINS HAVING ACYL TRANSFER ACTIVITY

申请人：SUNTORY LIMITED

公开号：EP0810287A1

公开（公告）日：1997-12-03

Proteins having an aromatic-acyltransferase activity; a gene system coding for the same; a process for producing the proteins using the gene system; and uses of the genes and the proteins. The genes and the proteins acylate plant pigments such as anthocyanin to thereby cause color tone changes, thus providing plants, particularly flowers, having colors that have not been inherent therein.

具有芳香酰基转移酶活性的蛋白质；编码芳香酰基转移酶的基因系统；利用基因系统生产蛋白质的工艺；以及基因和蛋白质的用途。这些基因和蛋白质使植物色素（如花青素）酰化，从而引起色调的变化，使植物（尤其是花卉）具有非固有的颜色。

飞燕草素葡萄糖苷 | 6906-38-3

物质功能分类

分子结构分类

物化性质

计算性质

安全信息

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反应信息

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