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Verruculogen TR 1 | 12771-72-1

中文名称
——
中文别名
——
英文名称
Verruculogen TR 1
英文别名
23,24-dihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-enyl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.02,7.08,25.015,23.017,21]pentacosa-1(25),2(7),3,5-tetraene-16,22-dione
Verruculogen TR 1化学式
CAS
12771-72-1
化学式
C27H33N3O7
mdl
——
分子量
511.6
InChiKey
LRXYHMMJJCTUMY-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 沸点:
    738.4±60.0 °C(Predicted)
  • 密度:
    1.49±0.1 g/cm3(Predicted)
  • 闪点:
    2℃
  • 溶解度:
    可溶于乙醇;可溶于甲醇;可溶于DMSO;可溶于二甲基甲酰胺

计算性质

  • 辛醇/水分配系数(LogP):
    1.8
  • 重原子数:
    37
  • 可旋转键数:
    2
  • 环数:
    6.0
  • sp3杂化的碳原子比例:
    0.56
  • 拓扑面积:
    114
  • 氢给体数:
    2
  • 氢受体数:
    7

ADMET

毒理性
  • 毒性总结
震颤素类真菌毒素通过干扰神经递质的释放来发挥其毒性作用,可能是通过导致神经末梢的变性。它们被认为可以抑制γ-丁酸GABA)受体,包括突触前和突触后的,同时还可以抑制GABA-T受体上的递质分解。这最初会增加神经递质的平,增强GABA诱导的氯离子电流,然后导致突触中神经递质平的降低。此外,疣孢菌素抑制平滑肌中突触前的高电导激活的大K+通道。疣孢菌素还具有基因毒性和导致DNA损伤。
Tremorgenic mycotoxins exert their toxic effects by interfering with neurotransmitter release, possibly by causing degeneration of nerve terminals. They are thought to inhibit gamma-aminobutyric acid (GABA) receptors, both pre- and postsynaptic, as well as inhibit transmitter breakdown at the GABA-T receptors. This would initially increase neurotransmitter levels, potentiating the GABA-induced chloride current, then lead to decreased levels of neurotransmitter in the synapse. In addition, verruculogen inhibits presynaptic high-conductance Ca+2 activated maxi-K+ channels in the smooth muscle. Verruculogen is also genotoxic and causes DNA damage. (A2976, A2993, A3026)
来源:Toxin and Toxin Target Database (T3DB)
毒理性
  • 致癌物分类
对人类无致癌性(未被国际癌症研究机构IARC列名)。
No indication of carcinogenicity to humans (not listed by IARC).
来源:Toxin and Toxin Target Database (T3DB)
毒理性
  • 健康影响
震颤原真菌毒素影响中枢神经系统活动。它们会导致牛患有一种被称为“蹒跚综合症”的神经疾病。
Tremorgenic mycotoxins affect central nervous system activity. They cause a neurological disease of cattle known as "staggers syndrome". (A2976)
来源:Toxin and Toxin Target Database (T3DB)
毒理性
  • 暴露途径
口服、皮肤、吸入和 parenteral(被污染的药物)。 (A3101)
Oral, dermal, inhalation, and parenteral (contaminated drugs). (A3101)
来源:Toxin and Toxin Target Database (T3DB)
毒理性
  • 症状
震颤素类真菌毒素影响中枢神经系统活动,引起包括精神混乱、瘫痪、震颤、惊厥和死亡在内的神经症状。它们会导致牛患有一种称为“摇摆综合症”的神经疾病,其特征是肌肉震颤、过度兴奋、惊厥和共济失调。
Tremorgenic mycotoxins affect central nervous system activity, inducing neurologic symptoms including mental confusion, paralysis, tremors, seizures, and death. They cause a neurological disease of cattle known as "staggers syndrome", which is characterized by muscle tremors, hyperexcitability, convulsions and ataxia. (A2976)
来源:Toxin and Toxin Target Database (T3DB)

安全信息

  • 危险品标志:
    T
  • 安全说明:
    S36/37/39,S45
  • 危险类别码:
    R23/24/25
  • WGK Germany:
    3
  • 海关编码:
    38220090
  • 危险品运输编号:
    UN 2811 6.1/PG 2
  • RTECS号:
    JH4920000

SDS

SDS:f2578365e6163ec8b3b61e1add9c9775
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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : Verruculogen solution
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.
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
Flammable liquids (Category 2), H225
Acute toxicity, Oral (Category 4), H302
Acute toxicity, Inhalation (Category 4), H332
Acute toxicity, Dermal (Category 4), H312
Eye irritation (Category 2), H319
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
F Highly flammable R11
Xn Harmful R20/21/22
Xi Irritant R36
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 word Danger
Hazard statement(s)
H225 Highly flammable liquid and vapour.
H302 + H312 + H332 Harmful if swallowed, in contact with skin or if inhaled
H319 Causes serious eye irritation.
Precautionary statement(s)
P210 Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P280 Wear protective gloves/ protective clothing.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazard none
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s) F Highly flammable
Xn Harmful
R-phrase(s)
R11 Highly flammable.
R20/21/22 Harmful by inhalation, in contact with skin and if swallowed.
R36 Irritating to eyes.
S-phrase(s)
S16 Keep away from sources of ignition - No smoking.
S26 In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S36/37 Wear suitable protective clothing and gloves.
Other hazards - none

SECTION 3: Composition/information on ingredients
Mixtures
Molecular Weight : 511,57 g/mol
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
Acetonitrile
CAS-No. 75-05-8 Flam. Liq. 2; Acute Tox. 4; Eye 50 - 100 %
EC-No. 200-835-2 Irrit. 2; H225, H302 + H312 +
Index-No. 608-001-00-3 H332, H319
Registration number 01-2119471307-38-XXXX
Verruculogen from Penicillium verruculosum
CAS-No. 12771-72-1 Acute Tox. 3; H301, H311, 10 - 20 %
H331
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
Acetonitrile
CAS-No. 75-05-8 F, Xn, R11 - R20/21/22 - R36 50 - 100 %
EC-No. 200-835-2
Index-No. 608-001-00-3
Registration number 01-2119471307-38-XXXX
Verruculogen from Penicillium verruculosum
CAS-No. 12771-72-1 T, R23/24/25 10 - 20 %
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
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Do NOT induce vomiting. 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, nitrogen oxides (NOx)
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
Use water spray to cool unopened containers.

SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid breathing vapours, mist or gas. Ensure adequate ventilation.
Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapours accumulating to
form explosive concentrations. Vapours can accumulate in low areas.
For personal protection see section 8.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
Methods and materials for containment and cleaning up
Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and
place in container for disposal according to local regulations (see section 13).
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 inhalation of vapour or mist.
Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic
charge.
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. Containers which are
opened must be carefully resealed and kept upright to prevent leakage.
Recommended storage temperature: -20 °C
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
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, Flame retardant antistatic protective clothing, The type
of protective equipment must be selected according to the concentration and amount of the
dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup
to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
respirator. Use respirators and components tested and approved under appropriate government
standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.

SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: liquid
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 no data available
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
Heat, flames and sparks. Extremes of temperature and direct sunlight.
Incompatible materials
acids, Bases, Oxidizing agents, Reducing agents, Alkali metals
Hazardous decomposition products
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
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

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
Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting
as this material is highly flammable. 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: 1648 IMDG: 1648 IATA: 1648
UN proper shipping name
ADR/RID: ACETONITRILE, SOLUTION
IMDG: ACETONITRILE, SOLUTION
IATA: Acetonitrile, SOLUTION
Transport hazard class(es)
ADR/RID: 3 IMDG: 3 IATA: 3
Packaging group
ADR/RID: II IMDG: II IATA: II
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
Full text of H-Statements referred to under sections 2 and 3.
Acute Tox. Acute toxicity
Eye Irrit. Eye irritation
Flam. Liq. Flammable liquids
H225 Highly flammable liquid and vapour.
H301 Toxic if swallowed.
H302 Harmful if swallowed.
H302 + H312 + Harmful if swallowed, in contact with skin or if inhaled
H332
H311 Toxic in contact with skin.
H312 Harmful in contact with skin.
H319 Causes serious eye irritation.
H331 Toxic if inhaled.
H332 Harmful if inhaled.
Full text of R-phrases referred to under sections 2 and 3
F Highly flammable
T Toxic
R11 Highly flammable.
R20/21/22 Harmful by inhalation, in contact with skin and if swallowed.
R23/24/25 Toxic by inhalation, in contact with skin and if swallowed.
R36 Irritating to eyes.
Xn Harmful
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.

制备方法与用途

简介 震颤真菌毒素是一种主要由青霉和曲霉属产生的毒素,在受感染的动物中引起严重震颤。Verruculogen 抑制 Ca2+ 激活的 K+ 通道,并且是哺乳动物细胞周期的 M 期抑制剂

生物活性 Verruculogen 是一种主要由青霉和曲霉属产生的毒素,在受感染的动物中引起严重震颤。它抑制 Ca2+ 激活的 K+ 通道,同时还是哺乳动物细胞周期的 M 期抑制剂

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