5'-对甲苯磺酸腺苷 | 5135-30-8

• 物质功能分类: 生物化工 - 核苷类药物 - 核苷中间体
• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷
• 中文名称: 5'-对甲苯磺酸腺苷
• 中文别名: 5'-对甲苯磺酰氯腺苷；5’-对甲苯磺酸腺苷；5"-对甲苯磺酸腺苷
• 英文名称: 5'-tosyladenosine
• 英文别名: 5′-O-(p-toluenesulfonyl)adenosine；5'-O-(toluenesulfonyl)adenosine；5'-O-toluenesulphonyladenosine；5'-Deoxy-5'-tosyladenosine；5'-O-tosyladenosine；[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-methylbenzenesulfonate
• CAS: 5135-30-8
• 化学式: C₁₇H₁₉N₅O₆S
• 分子量: 421.434
• InChiKey: CAXLRAROZXYOHH-LSCFUAHRSA-N

物化性质

• 熔点：
  151 °C
• 沸点：
  760.1±70.0 °C(Predicted)
• 密度：
  1.3663 (rough estimate)
• 溶解度：
  可溶于DMSO（轻微）、甲醇（轻微、加热）
• 稳定性/保质期：

  常温常压下稳定，应避免与氧化剂接触。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  171
• 氢给体数：
  3
• 氢受体数：
  10

安全信息

• 安全说明：
  S24/25
• 海关编码：
  29349990
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  密封保存，存放在阴凉干燥的仓库中。冷藏时温度应保持在-20°C。

SDS

Name:	5 -Tosyladenosine 99+% Material Safety Data Sheet
Synonym:	Adenosine 5'-tosylat
CAS:	5135-30-8

Section 1 - Chemical Product MSDS Name:5 -Tosyladenosine 99+% Material Safety Data Sheet
Synonym:Adenosine 5'-tosylat

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
5135-30-8	5'-Tosyladenosine	99+	225-883-1

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

---

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. Wash clothing before reuse.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid.
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:
Antidote: None reported.

---

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:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.

---

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

---

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Deep freeze (below -20C).

---

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 5135-30-8: 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:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

---

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: @ 760.00mm Hg
Freezing/Melting Point: 151.00 - 153.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C17H19N5O6S
Molecular Weight: 421.42

---

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 5135-30-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5'-Tosyladenosine - Not listed by ACGIH, IARC, or NTP.

---

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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

---

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
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# 5135-30-8: 2
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 5135-30-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5135-30-8 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

医药中间体

反应信息

• 作为反应物：
  描述：

  5'-对甲苯磺酸腺苷 在 四(四正丁基铵)三磷酸氢盐 作用下， 以 乙腈 为溶剂， 反应 48.0h， 以72%的产率得到5’-三磷酸腺苷
  参考文献：
  名称：

  便捷合成腺苷5'-二磷酸酯，腺苷5'-亚甲基二膦酸酯和腺苷5'-三磷酸酯

  摘要：

  通过用适当的无机盐直接置换，以良好的产率将腺苷5'-甲苯磺酸酯转化为腺苷5'-二磷酸酯（ADP），腺苷5'-亚甲基二膦酸酯和腺苷5'-三磷酸酯（ATP）。

  DOI：

  10.1016/s0040-4039(01)90180-7
• 作为产物：
  描述：

  N6-苯甲酰基腺苷 在