2-巯(基)嘌呤 | 28128-19-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 中文名称: 2-巯(基)嘌呤
• 中文别名: 2-疏基嘌呤；2-巯基嘌呤
• 英文名称: 2-mercaptopurine
• 英文别名: 6-mercaptopurine；2-mercaptopurin；2-thiopurine；2-purinethiol；1(3),9-dihydro-purine-2-thione；1,3-dihydro-2H-purine-2-thione；3,7-dihydropurine-2-thione
• CAS: 28128-19-0
• 化学式: C₅H₄N₄S
• mdl: MFCD00047145
• 分子量: 152.18
• InChiKey: HDBQZGJWHMCXIL-UHFFFAOYSA-N

物化性质

• 熔点：
  250 °C (decomp)
• 沸点：
  290.7±23.0 °C(Predicted)
• 密度：
  1.82±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  85.2
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S26,S39
• 危险类别码：
  R22,R41
• 海关编码：
  2933990090

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : 2-Mercaptopurine
CAS-No. : 28128-19-0
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Acute toxicity, Oral (Category 4)
Serious eye damage (Category 1)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Harmful if swallowed. Risk of serious damage to eyes.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Danger
Hazard statement(s)
H302 Harmful if swallowed.
H318 Causes serious eye damage.
Precautionary statement(s)
P280 Wear protective gloves/ eye protection/ face protection.
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)
R-phrase(s)
R22 Harmful if swallowed.
R41 Risk of serious damage to eyes.
S-phrase(s)
S26 In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S39 Wear eye/face protection.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Synonyms : 2-Thiopurine
2-Purinethiol
Formula : C5H4N4S
Molecular Weight : 152,18 g/mol
Component Concentration
1,3-Dihydro-2H-purine-2-thione
CAS-No. 28128-19-0 -
EC-No. 248-855-0

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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
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

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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), Sulphur oxides
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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Section 6. 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.

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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.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end uses
no data available

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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
Where risk assessment shows air-purifying respirators are appropriate use a full-face particle
respirator type N100 (US) or type P3 (EN 143) 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).

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: crystalline
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: 300 °C
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evaporation 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- log Pow: 0,615
octanol/water
p) Autoignition 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

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Section 10. 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
Oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

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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 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
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. May cause respiratory tract irritation.
Ingestion Harmful if swallowed.
Skin May be harmful if absorbed through skin. May cause skin irritation.
Eyes Causes eye burns.
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

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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
no data available
Other adverse effects
no data available

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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.

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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

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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
no data available

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Section 16. OTHER INFORMATION
Further information
Copyright 2012 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：

  2-巯(基)嘌呤 在 盐酸 作用下， 生成 5-amino-2-thiocytosine dihydrochloride dihydrate
  参考文献：
  名称：

  The structure of a degradation product of 2-mercaptopurine: 5-amino-2-thiocytosine dihydrochloride dihydrate

  摘要：

  DOI：

  10.1107/s0567740881007176
• 作为产物：
  描述：

  2-巯基-4,5-二氨基嘧啶 在 甲酸 作用下， 生成 2-巯(基)嘌呤
  参考文献：
  名称：

  嘌呤研究。第一部分：对酸和碱的稳定性。溶解度。电离。与蝶啶的比较

  摘要：

  DOI：

  10.1039/jr9540002060

文献信息

• Oxidation of thiols with molecular oxygen catalyzed by cobalt(ii) phthalocyanines in ionic liquidElectronic supplementary information (ESI) available: experimental. See http://www.rsc.org/suppdata/cc/b3/b305888c/
  作者：S. M. S. Chauhan、Anil Kumar、K. A. Srinivas

  DOI：10.1039/b305888c

  日期：——

  An efficient procedure for catalyst solubility, recycling and easy product isolation in oxidation of thiols to disulfides with molecular oxygen catalyzed by cobalt(II) phthalocyanines dissolved in ionic liquid at room temperature is reported.

  报道了在室温下溶解在离子液体中的钴 (II) 酞菁催化硫醇氧化为二硫化物的过程中催化剂溶解、回收和易于产物分离的有效程序。
• Hetero-substituted metalloprotease inhibitors
  申请人：The Procter & Gamble Company

  公开号：US06566381B1

  公开（公告）日：2003-05-20

  Heterocyclic substituted compounds having the general structure: which are inhibitors of metalloproteases and which are effective in treating conditions characterized by excess activity of these enzymes.

  具有一般结构的杂环取代化合物：这些化合物是金属蛋白酶抑制剂，对于治疗由这些酶活性过高所表征的疾病有效。
• Dihetero-substituted metalloprotease inhibitors
  申请人：The Procter & Gamble Company

  公开号：US20030225074A1

  公开（公告）日：2003-12-04

  Disclosed are compounds which are inhibitors of metalloproteases and which are effective in treating conditions characterized by excess activity of these enzymes. In particular, the compounds have a structure according to the following Formula (I): 1 where J, M, Q, T, W, X, Z, R 1 , R 2 , R 3 , R 4 , R 4′ , R 5 , R 6 , R 6′ , R 7 , m, and n have the meanings described in the specification. This invention also includes optical isomers, diastereomers and enantiomers of the formula above, and pharmaceutically-acceptable salts, biohydrolyzable amides, esters, and imides thereof. Also disclosed are pharmaceutical compositions comprising these compounds, and methods of treating or preventing metalloprotease-related maladies using the compounds or the pharmaceutical compositions.

  本发明涉及一种金属蛋白酶抑制剂化合物，用于治疗由这些酶的过度活性引起的疾病。特别地，该化合物具有以下式(I)的结构：其中J、M、Q、T、W、X、Z、R1、R2、R3、R4、R4'、R5、R6、R6'、R7、m和n在规范中有所描述。本发明还包括该式的光学异构体、对映异构体和对映体，以及其药物可接受的盐、生物可水解的酰胺、酯和亚酰酰胺。还公开了包含这些化合物的药物组合物，以及使用该化合物或药物组合物治疗或预防金属蛋白酶相关疾病的方法。
• Stanovnik, Branko; Tisler, Miha; Hribar, Alenka, Australian Journal of Chemistry, 1981, vol. 34, # 8, p. 1729 - 1738
  作者：Stanovnik, Branko、Tisler, Miha、Hribar, Alenka、Barlin, Gordon B.、Brown, Desmond J.

  DOI：——

  日期：——
• Purines. II. The Synthesis of Certain Purines and the Cyclization of Several Substituted 4,5-Diaminopyrimidines¹
  作者：Roland K. Robins、K. J. Dille、C. H. Willits、B. E. Christensen

  DOI：10.1021/ja01098a003

  日期：1953.1