87687-02-3

87687-02-3 structure
87687-02-3 structure
  • Name: Resorufin benzyl ether
  • Chemical Name: Resorufin benzyl ether,Benzyloxyresorufin
  • CAS Number: 87687-02-3
  • Molecular Formula: C19H13NO3
  • Molecular Weight: 303.31100
  • Catalog: Research Areas Others
  • Create Date: 2018-04-26 08:00:00
  • Modify Date: 2024-01-14 11:36:44
  • Resorufin benzyl ether (BzRes), a fluorogenic enzyme substrate, can be used to detect CYP3A4 enzyme activity. Resorufin benzyl ether modified with a recognizing moiety boronate, can be used for ONOO- detection via a self-immolation mechanism. Ex/Em=530-570 nm/590 nm[1][2][3].

Name Resorufin benzyl ether,Benzyloxyresorufin
Synonyms BENZYLOXYRESORUFIN
7-BENZYLOXYRESORUFIN
RESORUFIN BENZYL ETHER
7-Benzyloxyphenoxazone
7-BENZYLOXY-3H-PHENOXAZIN-3-ONE
MFCD00171613
7-Benzyloxy-3H-phenoxazin-3-one,7-Benzyloxyresorufin,O7-Benzylresorufin
Resorufin benzyl ether,7-Benzyloxy-3H-phenoxazin-3-one,7-Benzyloxyresorufin,O7-Benzylresorufin
Benzyloxyresorfin
Description Resorufin benzyl ether (BzRes), a fluorogenic enzyme substrate, can be used to detect CYP3A4 enzyme activity. Resorufin benzyl ether modified with a recognizing moiety boronate, can be used for ONOO- detection via a self-immolation mechanism. Ex/Em=530-570 nm/590 nm[1][2][3].
Related Catalog
In Vitro CYP3A4 活性测定[2]: 1. 准备反应溶液。 a. 标准原液含有 1 mM Resorufin benzyl ether,以其为荧光底物。将 5mg Resorufin benzyl ether 溶解在 1mL 2% w/v 的 Poloxamer 188 (HY-D1005A)、500 mL Dimethyl sulfoxide (HY-Y0320) 和 3.5 mL 乙腈的混合物中。b. 新鲜配制 CYP3A4 酶液。将 5mL 1mM 酶原液与 995 mL 缓冲液稀释,得到 5 nM 酶溶液。2. 测定 CYP3A4 活性 a. 在 96 孔板中反应。在每个孔中加入 99 mL 缓冲混合液,1 mL 1 mM Resorufin benzyl ether。调整至最终浓度 5 mM。 b. 在 37℃ 孵育 30 分钟之前,转移 100 mL 5 nM 酶液。 c. 在激发波长 (lex=570 nm) 和发射波长 (lem=590 nm) 荧光检测下进行酶活性测定。 d. 影响 CYP3A4 活性测定的因素。如缓冲液 (磷酸盐、Tris-HCl 缓冲液)、缓冲液浓度 (50-200 mM)、培养时间 (0-50 min)。 CYP3A4 代谢活性测定[3]: 1. 加入 CYP3A4 酶至最终浓度为 5 pmol/孔。 2. 每次反应使用 50 pM 底物和 200 mM 磷酸钾缓冲液。< br / >3. 在测量代谢物荧光之前,用 BzRes 孵育 45 分钟。激发波长 (Ex) 为 530 nm,发射波长 (Em) 为590 nm。 4. 将全强度提取物的浓度指定为 100% (在最终测定量中稀释为 1:4)。 5. 以 1:3 重复稀释两次 100% 提取物。计算荧光值的均值和标准差。
References

[1]. Ji X, et al. Regulating the activity of boronate moiety to construct fluorescent probes for the detection of ONOO-in vitro and in vivo. Anal Methods. 2022 Dec 15;14(48):5027-5033.  

[2]. Nuchtavorn N, et al. Paper-based sol-gel thin films immobilized cytochrome P450 for enzyme activity measurement. Anal Chim Acta. 2020 Feb 15;1098:86-93.  

[3]. Yale SH, et al. Analysis of the inhibitory potential of Ginkgo biloba, Echinacea purpurea, and Serenoa repens on the metabolic activity of cytochrome P450 3A4, 2D6, and 2C9. J Altern Complement Med. 2005 Jun;11(3):433-9.  

Density 1.26 g/cm3
Boiling Point 479.9ºC at 760 mmHg
Molecular Formula C19H13NO3
Molecular Weight 303.31100
Exact Mass 303.09000
PSA 52.33000
LogP 3.87180
Storage condition 2-8°C

Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name: Resorufin benzyl ether
CAS-No.: 87687-02-3


Section2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Skin irritation (Category 2)
Eye irritation (Category 2)
Specific target organ toxicity - single exposure (Category 3)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Irritating to eyes, respiratory system and skin.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal wordWarning
Hazard statement(s)
Causes skin irritation.
Causes serious eye irritation.
May cause respiratory irritation.
Precautionary statement(s)
Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P305 + P351 + P338IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazardnone
Statements
Safety data sheet available on request.
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R36/37/38Irritating to eyes, respiratory system and skin.
S-phrase(s)
S26In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S36Wear suitable protective clothing.
Other hazards - none

Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Synonyms: 7-Benzyloxy-3H-phenoxazin-3-one
7-Benzyloxyresorufin
O7-Benzylresorufin
Formula: C19H13NO3
Molecular Weight: 303,31 g/mol
ComponentConcentration
7-Benzyloxyresorufin
CAS-No.87687-02-3-

Section4. 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
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
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Indication of any immediate medical attention and special treatment needed
no data available

Section5. 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
no data available

Section6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure
adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
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.

Section7. 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.
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: 2 - 8 °C
Light sensitive.
Specific end uses
no data available

Section8. 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
Safety glasses with side-shields conforming to EN166 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
impervious 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
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).

Section9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) AppearanceForm: solid
Colour: dark brown, red
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) Evaporation 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) Autoignitionno 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

Section10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
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

Section11. 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 sensitization
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
Inhalation - May cause respiratory irritation.
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
InhalationMay be harmful if inhaled. Causes respiratory tract irritation.
IngestionMay be harmful if swallowed.
SkinMay be harmful if absorbed through skin. Causes skin irritation.
EyesCauses serious eye irritation.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Additional Information
RTECS: Not available

Section12. 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
no data available
Other adverse effects
no data available

Section13. 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.

Section14. 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

Section15. 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


SECTION 16 - ADDITIONAL INFORMATION
N/A
Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xi: Irritant;
Risk Phrases R36/37/38
Safety Phrases 26-36
RIDADR NONH for all modes of transport