1-[6-(3-methyl-but-2-enylamino)-purin-9-yl]-β-D-1-deoxy-arabinofuranose | 7724-76-7

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷
• 英文名称: 1-[6-(3-methyl-but-2-enylamino)-purin-9-yl]-β-D-1-deoxy-arabinofuranose
• 英文别名: (2R,5R)-2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)purin-9-yl]oxolane-3,4-diol
• CAS: 7724-76-7；33156-15-9
• 化学式: C₁₅H₂₁N₅O₄
• 分子量: 335.363
• InChiKey: USVMJSALORZVDV-HGOJYGERSA-N

物化性质

• 熔点：
  143-146°C
• 沸点：
  647.2±65.0 °C(Predicted)
• 密度：
  1.56±0.1 g/cm3(Predicted)
• 溶解度：
  DMSO（少量）、甲醇（少量、超声处理）
• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  126
• 氢给体数：
  4
• 氢受体数：
  8

安全信息

• 安全说明：
  S24/25
• WGK Germany：
  3
• 海关编码：
  29400090
• RTECS号：
  AU7404910
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Name:	N-6-(Delta-2-Isopentenyl)-Adenosine Hemihydrate 99+% Material Safety Data Sheet
Synonym:	6-(Gamma, Gamma-Dimethylallylamino)Purine Riboside
CAS:	33156-15-9

Section 1 - Chemical Product MSDS Name:N-6-(Delta-2-Isopentenyl)-Adenosine Hemihydrate 99+% Material Safety Data Sheet
Synonym:6-(Gamma, Gamma-Dimethylallylamino)Purine Riboside

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
33156-15-9	N-6-(Delta-2-Isopentenyl)-Adenosine He	99+	unlisted

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

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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.

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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.
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:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
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:

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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. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use agent most appropriate to extinguish fire.

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

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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:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep refrigerated. (Store below 4C/39F.)

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 33156-15-9: Personal Protective Equipment Eyes: Wear chemical splash goggles. 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 minimize contact with skin.
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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 143.00 - 146.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C15H21N5O4.0.5H2O
Molecular Weight: 335.35

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

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 33156-15-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N-6-(Delta-2-Isopentenyl)-Adenosine Hemihydrate - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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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.
WGK (Water Danger/Protection)
CAS# 33156-15-9: 1
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 33156-15-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 33156-15-9 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

文献信息

• Alternative nucleic acid molecules and uses thereof
  申请人：Roy, Atanu

  公开号：EP2918275A1

  公开（公告）日：2015-09-16

  The present disclosure provides alternative nucleosides, nucleotides, and nucleic acids, and methods of using them.

  本公开提供了可供选择的核苷、核苷酸和核酸以及使用它们的方法。
• Surface modification of a porous organic material through the use of a supercritical fluid
  申请人：Wang Ching-Ya

  公开号：US20050260402A1

  公开（公告）日：2005-11-24

  An organic layer, such as a porous low-K dielectric in an IC, contains pores open at its surface. To close the pores, the organic layer is contacted by a supercritical fluid that is a solvent for the layer. After a small amount of the surface and the wall of the open pores is solvated, a phase transition of the solvated organic material is effected at the surface to cover it with a dense, smooth, non-porous film that seals the open pores.
• ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF
  申请人：Moderna Therapeutics, Inc.

  公开号：US20170136132A1

  公开（公告）日：2017-05-18

  The present disclosure provides alternative nucleosides, nucleotides, and nucleic acids, and methods of using them.
• US7354623B2
  申请人：——

  公开号：US7354623B2

  公开（公告）日：2008-04-08